Clotrimazole

Compound Structure

CAS Number: 23593-75-1

Molecular Mass: 344.8 g/mol

Formula: C22H17ClN2

Smiles: Clc1ccccc1C(c1ccccc1)(c1ccccc1)n1ccnc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 288.15 - 163.2 [220]
1,4-Dioxane 293.15 - 186.7 [220]
1,4-Dioxane 298.15 - 211.9 [220]
1,4-Dioxane 303.15 - 240.8 [220]
1,4-Dioxane 308.15 - 273.4 [220]
1,4-Dioxane 313.15 - 311.9 [220]
1,4-Dioxane 318.15 - 348.4 [220]
1,4-Dioxane 323.15 - 391.7 [220]
1-Butanol 283.16 - 58.36 [221]
1-Butanol 288.11 - 72.39 [221]
1-Butanol 293.15 - 90.48 [221]
1-Butanol 298.2 - 111.7 [221]
1-Butanol 303.14 - 137.9 [221]
1-Butanol 308.18 - 170.3 [221]
1-Butanol 313.15 - 210.2 [221]
1-Butanol 318.17 - 259.5 [221]
1-Butanol 323.16 - 317.5 [221]
1-Hexanol 283.08 - 41.1 [221]
1-Hexanol 288.13 - 52.31 [221]
1-Hexanol 293.16 - 65.34 [221]
1-Hexanol 298.15 - 81.31 [221]
1-Hexanol 303.19 - 101.0 [221]
1-Hexanol 308.14 - 123.0 [221]
1-Hexanol 313.1 - 152.0 [221]
1-Hexanol 318.21 - 184.6 [221]
1-Hexanol 323.17 - 224.1 [221]
1-Octanol 283.06 - 26.26 [221]
1-Octanol 288.15 - 35.55 [221]
1-Octanol 293.13 - 45.28 [221]
1-Octanol 293.15 - 45.5 [222]
1-Octanol 298.15 - 55.56 [222]
1-Octanol 298.19 - 55.14 [221]
1-Octanol 303.11 - 67.18 [221]
1-Octanol 303.15 - 67.92 [222]
1-Octanol 308.15 - 83.32 [222]
1-Octanol 308.22 - 81.82 [221]
1-Octanol 313.15 - 101.0 [222]
1-Octanol 313.18 - 101.9 [221]
1-Octanol 318.09 - 125.1 [221]
1-Octanol 323.17 - 150.6 [221]
1-Pentanol 283.19 - 55.2 [221]
1-Pentanol 288.15 - 69.8 [221]
1-Pentanol 293.13 - 87.95 [221]
1-Pentanol 298.1 - 106.7 [221]
1-Pentanol 303.12 - 131.5 [221]
1-Pentanol 308.15 - 160.4 [221]
1-Pentanol 313.07 - 195.0 [221]
1-Pentanol 318.14 - 237.0 [221]
1-Pentanol 323.17 - 287.9 [221]
1-Propanol 278.15 - 59.17 [220]
1-Propanol 283.15 - 71.61 [220]
1-Propanol 283.15 - 67.92 [221]
1-Propanol 288.12 - 81.31 [221]
1-Propanol 288.15 - 85.5 [220]
1-Propanol 293.14 - 100.1 [221]
1-Propanol 293.15 - 101.5 [220]
1-Propanol 298.15 - 120.8 [220]
1-Propanol 298.18 - 124.2 [221]
1-Propanol 303.15 - 141.9 [220]
1-Propanol 303.16 - 154.2 [221]
1-Propanol 308.15 - 166.1 [220]
1-Propanol 308.15 - 191.7 [221]
1-Propanol 313.11 - 237.8 [221]
1-Propanol 313.15 - 194.5 [220]
1-Propanol 318.15 - 225.3 [220]
1-Propanol 318.17 - 296.2 [221]
1-Propanol 323.15 - 262.3 [220]
1-Propanol 323.18 - 368.2 [221]
2-Butanol 283.15 - 38.81 [221]
2-Butanol 288.16 - 49.57 [221]
2-Butanol 293.21 - 62.98 [221]
2-Butanol 298.18 - 79.96 [221]
2-Butanol 303.13 - 101.8 [221]
2-Butanol 308.15 - 129.3 [221]
2-Butanol 313.19 - 163.1 [221]
2-Butanol 318.11 - 205.1 [221]
2-Butanol 323.14 - 255.3 [221]
Acetonitrile 278.15 - 11.63 [220]
Acetonitrile 283.15 - 14.18 [220]
Acetonitrile 288.15 - 17.5 [220]
Acetonitrile 293.15 - 20.86 [220]
Acetonitrile 298.15 - 24.73 [220]
Acetonitrile 303.15 - 29.5 [220]
Acetonitrile 308.15 - 34.89 [220]
Acetonitrile 313.15 - 40.89 [220]
Acetonitrile 318.15 - 47.34 [220]
Acetonitrile 323.15 - 56.24 [220]
Butyl acetate 283.16 - 19.77 [221]
Butyl acetate 288.19 - 23.49 [221]
Butyl acetate 293.14 - 27.47 [221]
Butyl acetate 298.16 - 32.53 [221]
Butyl acetate 303.11 - 38.79 [221]
Butyl acetate 308.09 - 46.01 [221]
Butyl acetate 313.25 - 55.11 [221]
Butyl acetate 318.15 - 65.55 [221]
Butyl acetate 323.13 - 77.9 [221]
Ethanol 293.2 - 92.42 [219]
Ethanol 298.2 - 99.8 [219]
Ethanol 303.2 - 129.0 [219]
Ethanol 308.2 - 149.0 [219]
Ethanol 313.2 - 186.1 [219]
Ethyl acetate 283.11 - 25.69 [221]
Ethyl acetate 288.17 - 29.98 [221]
Ethyl acetate 293.24 - 35.66 [221]
Ethyl acetate 298.15 - 42.08 [221]
Ethyl acetate 303.14 - 50.07 [221]
Ethyl acetate 308.18 - 58.91 [221]
Ethyl acetate 313.12 - 69.24 [221]
Ethyl acetate 318.16 - 81.15 [221]
Ethyl acetate 323.19 - 95.52 [221]
Heptanol 283.17 - 26.99 [221]
Heptanol 288.14 - 37.49 [221]
Heptanol 293.18 - 49.43 [221]
Heptanol 298.16 - 62.69 [221]
Heptanol 303.1 - 78.89 [221]
Heptanol 308.15 - 97.7 [221]
Heptanol 313.19 - 119.3 [221]
Heptanol 318.08 - 146.4 [221]
Heptanol 323.16 - 177.5 [221]
Hexane 293.15 - 0.5858 [222]
Hexane 298.15 - 0.6997 [222]
Hexane 303.15 - 0.8302 [222]
Hexane 308.15 - 0.9898 [222]
Hexane 313.15 - 1.168 [222]
Isoamyl Alcohol 283.13 - 50.92 [221]
Isoamyl Alcohol 288.18 - 62.5 [221]
Isoamyl Alcohol 293.14 - 77.6 [221]
Isoamyl Alcohol 298.16 - 96.01 [221]
Isoamyl Alcohol 303.13 - 119.2 [221]
Isoamyl Alcohol 308.18 - 147.0 [221]
Isoamyl Alcohol 313.12 - 179.8 [221]
Isoamyl Alcohol 318.15 - 221.2 [221]
Isoamyl Alcohol 323.19 - 270.7 [221]
Isobutanol 283.09 - 60.05 [221]
Isobutanol 288.15 - 77.24 [221]
Isobutanol 293.11 - 95.89 [221]
Isobutanol 298.17 - 119.0 [221]
Isobutanol 303.16 - 148.0 [221]
Isobutanol 308.21 - 184.2 [221]
Isobutanol 313.15 - 229.0 [221]
Isobutanol 318.14 - 283.1 [221]
Isobutanol 323.18 - 346.3 [221]
Isopropanol 278.15 - 36.1 [220]
Isopropanol 283.1 - 26.17 [221]
Isopropanol 283.15 - 43.57 [220]
Isopropanol 288.15 - 52.36 [220]
Isopropanol 288.15 - 33.01 [221]
Isopropanol 293.13 - 41.67 [221]
Isopropanol 293.15 - 62.56 [220]
Isopropanol 298.15 - 74.86 [220]
Isopropanol 298.16 - 52.1 [221]
Isopropanol 303.12 - 65.77 [221]
Isopropanol 303.15 - 88.52 [220]
Isopropanol 308.15 - 103.6 [220]
Isopropanol 308.15 - 83.48 [221]
Isopropanol 313.15 - 120.2 [220]
Isopropanol 313.19 - 106.2 [221]
Isopropanol 318.15 - 140.1 [220]
Isopropanol 318.16 - 135.6 [221]
Isopropanol 323.15 - 162.7 [220]
Isopropanol 323.15 - 173.8 [221]
Methyl acetate 283.15 - 29.33 [221]
Methyl acetate 288.17 - 34.94 [221]
Methyl acetate 293.1 - 41.82 [221]
Methyl acetate 298.21 - 49.9 [221]
Methyl acetate 303.15 - 59.51 [221]
Methyl acetate 308.16 - 70.95 [221]
Methyl acetate 313.12 - 84.55 [221]
Methyl acetate 318.14 - 100.9 [221]
Methyl acetate 323.18 - 120.6 [221]
Propyl acetate 283.15 - 24.0 [221]
Propyl acetate 288.14 - 28.9 [221]
Propyl acetate 293.19 - 34.06 [221]
Propyl acetate 298.17 - 39.83 [221]
Propyl acetate 303.16 - 46.95 [221]
Propyl acetate 308.12 - 55.42 [221]
Propyl acetate 313.21 - 64.8 [221]
Propyl acetate 318.15 - 76.51 [221]
Propyl acetate 323.13 - 90.15 [221]
Water 278.15 - 2.0 × 10⁻⁴ [220]
Water 283.15 - 2.0 × 10⁻⁴ [220]
Water 288.15 - 3.0 × 10⁻⁴ [220]
Water 293.15 - 4.0 × 10⁻⁴ [220]
Water 293.2 - 5.0 × 10⁻⁴ [219]
Water 298.15 - 5.0 × 10⁻⁴ [220]
Water 298.2 - 6.0 × 10⁻⁴ [219]
Water 303.15 - 6.0 × 10⁻⁴ [220]
Water 303.2 - 6.0 × 10⁻⁴ [219]
Water 308.15 - 7.0 × 10⁻⁴ [220]
Water 308.2 - 7.0 × 10⁻⁴ [219]
Water 313.15 - 9.0 × 10⁻⁴ [220]
Water 313.2 - 8.0 × 10⁻⁴ [219]
Water 318.15 - 0.0011 [220]
Water 323.15 - 0.0013 [220]
isopropyl acetate 283.1 - 15.58 [221]
isopropyl acetate 288.16 - 18.38 [221]
isopropyl acetate 293.2 - 21.7 [221]
isopropyl acetate 298.19 - 25.62 [221]
isopropyl acetate 303.15 - 29.93 [221]
isopropyl acetate 308.12 - 35.4 [221]
isopropyl acetate 313.15 - 41.68 [221]
isopropyl acetate 318.19 - 49.47 [221]
isopropyl acetate 323.17 - 58.45 [221]

Molecule 3D descriptors

Descriptor Value
PMI1 2070.1600
PMI2 2419.2311
PMI3 2704.0942
NPR1 0.7656
NPR2 0.8947
RadiusOfGyration 3.2296
InertialShapeFactor 0.0004
Eccentricity 0.6434
Asphericity 0.0234
SpherocityIndex 0.7747
PBF 1.4768