Fluconazole

Compound Structure

CAS Number: 86386-73-4

Molecular Mass: 306.27 g/mol

Formula: C13H12F2N6O

Smiles: OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 298.15 - 44.86 [278]
1,4-Dioxane 303.15 - 59.63 [278]
1,4-Dioxane 308.15 - 69.94 [278]
1,4-Dioxane 313.15 - 78.7 [278]
1,4-Dioxane 318.15 - 92.19 [278]
1,4-Dioxane 323.15 - 108.9 [278]
1-Butanol 298.15 - 19.4 [278]
1-Butanol 303.15 - 22.0 [278]
1-Butanol 308.15 - 27.0 [278]
1-Butanol 313.15 - 33.83 [278]
1-Butanol 318.15 - 43.7 [278]
1-Butanol 323.15 - 52.9 [278]
1-Propanol 298.15 - 47.41 [278]
1-Propanol 303.15 - 52.16 [278]
1-Propanol 308.15 - 60.6 [278]
1-Propanol 313.15 - 71.48 [278]
1-Propanol 318.15 - 85.6 [278]
1-Propanol 323.15 - 113.5 [278]
Chloroform 298.15 - 51.92 [278]
Chloroform 303.15 - 51.97 [278]
Chloroform 308.15 - 52.78 [278]
Chloroform 313.15 - 55.88 [278]
Chloroform 318.15 - 60.1 [278]
Chloroform 323.15 - 67.67 [278]
Ethanol 293.15 - 55.7 [277]
Ethanol 298.15 - 65.03 [277]
Ethanol 298.15 - 58.1 [278]
Ethanol 303.15 - 73.71 [277]
Ethanol 303.15 - 77.45 [278]
Ethanol 308.15 - 82.33 [277]
Ethanol 308.15 - 89.3 [278]
Ethanol 313.15 - 95.69 [277]
Ethanol 313.15 - 121.4 [278]
Ethanol 318.15 - 120.0 [277]
Ethanol 318.15 - 149.2 [278]
Ethanol 323.15 - 147.2 [277]
Ethanol 323.15 - 186.2 [278]
Methanol 298.15 - 107.5 [278]
Methanol 303.15 - 147.0 [278]
Methanol 308.15 - 218.6 [278]
Methanol 313.15 - 325.2 [278]
Methanol 318.15 - 470.0 [278]
Methanol 323.15 - 703.0 [278]
Tetrahydrofuran 298.15 - 45.89 [278]
Tetrahydrofuran 303.15 - 58.61 [278]
Tetrahydrofuran 308.15 - 74.34 [278]
Tetrahydrofuran 313.15 - 84.61 [278]
Tetrahydrofuran 318.15 - 102.5 [278]
Tetrahydrofuran 323.15 - 124.2 [278]
Water 293.15 - 1.317 [277]
Water 298.15 - 1.354 [277]
Water 303.15 - 1.402 [277]
Water 308.15 - 1.45 [277]
Water 313.15 - 1.528 [277]
Water 318.15 - 1.615 [277]
Water 323.15 - 1.747 [277]

Molecule 3D descriptors

Descriptor Value
PMI1 1153.0935
PMI2 2543.3724
PMI3 3137.5220
NPR1 0.3675
NPR2 0.8106
RadiusOfGyration 3.3401
InertialShapeFactor 0.0007
Eccentricity 0.9300
Asphericity 0.2665
SpherocityIndex 0.3754
PBF 0.9878