Griseofulvin

Compound Structure

CAS Number: 126-07-8

Molecular Mass: 352.8 g/mol

Formula: C17H17ClO6

Smiles: COC1=CC(=O)C[C@@H](C)[C@]12Oc1c(Cl)c(OC)cc(OC)c1C2=O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,2-Dichloroethane 290.05 - 89.98 [123]
1,2-Dichloroethane 294.3 - 95.11 [123]
1,2-Dichloroethane 300.25 - 100.4 [123]
1,2-Dichloroethane 305.55 - 106.5 [123]
1,2-Dichloroethane 310.05 - 112.9 [123]
1,2-Dichloroethane 315.65 - 119.8 [123]
1,2-Dichloroethane 319.35 - 128.7 [123]
1,2-Dichloroethane 324.05 - 137.9 [123]
1,2-Dichloroethane 329.65 - 148.3 [123]
Acetone 281.95 - 31.83 [123]
Acetone 286.4 - 34.7 [123]
Acetone 291.85 - 37.62 [123]
Acetone 296.4 - 41.12 [123]
Acetone 300.8 - 45.11 [123]
Acetone 305.05 - 48.67 [123]
Acetone 310.25 - 55.43 [123]
Acetone 313.65 - 60.69 [123]
Acetone 317.05 - 67.24 [123]
Acetonitrile 278.15 - 22.82 [122]
Acetonitrile 283.15 - 25.27 [122]
Acetonitrile 288.15 - 28.43 [122]
Acetonitrile 293.15 - 31.97 [122]
Acetonitrile 298.15 - 35.97 [122]
Acetonitrile 303.15 - 40.78 [122]
Acetonitrile 308.15 - 46.21 [122]
Acetonitrile 313.15 - 52.4 [122]
Acetonitrile 318.15 - 58.86 [122]
Acetonitrile 323.15 - 66.44 [122]
Dimethyl sulfoxide 296.75 - 84.27 [123]
Dimethyl sulfoxide 301.15 - 93.24 [123]
Dimethyl sulfoxide 306.15 - 102.0 [123]
Dimethyl sulfoxide 310.85 - 108.8 [123]
Dimethyl sulfoxide 315.55 - 119.2 [123]
Dimethyl sulfoxide 320.55 - 129.3 [123]
Dimethyl sulfoxide 326.55 - 139.8 [123]
Dimethyl sulfoxide 331.95 - 149.2 [123]
Dimethyl sulfoxide 336.75 - 159.7 [123]
Dimethyl sulfoxide 341.05 - 169.8 [123]
Dimethyl sulfoxide 346.25 - 180.8 [123]
Dimethyl sulfoxide 351.7 - 192.5 [123]
Dimethyl sulfoxide 357.6 - 202.5 [123]
Dimethylacetamide 296.2 - 98.25 [123]
Dimethylacetamide 301.25 - 107.1 [123]
Dimethylacetamide 305.75 - 117.7 [123]
Dimethylacetamide 310.75 - 126.2 [123]
Dimethylacetamide 314.95 - 132.7 [123]
Dimethylacetamide 319.25 - 142.4 [123]
Dimethylacetamide 324.75 - 151.8 [123]
Dimethylacetamide 330.05 - 161.9 [123]
Dimethylacetamide 336.15 - 172.8 [123]
Dimethylacetamide 340.25 - 186.3 [123]
Dimethylacetamide 345.75 - 197.2 [123]
Dimethylacetamide 350.55 - 208.6 [123]
Dimethylacetamide 354.78 - 221.3 [123]
Dimethylformamide 278.15 - 22.62 [122]
Dimethylformamide 283.15 - 25.15 [122]
Dimethylformamide 288.15 - 28.26 [122]
Dimethylformamide 293.15 - 32.44 [122]
Dimethylformamide 298.15 - 37.28 [122]
Dimethylformamide 303.15 - 42.7 [122]
Dimethylformamide 308.15 - 48.45 [122]
Dimethylformamide 313.15 - 54.67 [122]
Dimethylformamide 318.15 - 61.35 [122]
Dimethylformamide 323.15 - 70.12 [122]
Ethanol 278.15 - 1.341 [122]
Ethanol 283.15 - 1.557 [122]
Ethanol 288.15 - 1.843 [122]
Ethanol 293.15 - 2.24 [122]
Ethanol 298.15 - 2.681 [122]
Ethanol 303.15 - 3.241 [122]
Ethanol 308.15 - 3.865 [122]
Ethanol 313.15 - 4.608 [122]
Ethanol 318.15 - 5.463 [122]
Ethanol 323.15 - 6.559 [122]
Methanol 278.15 - 2.185 [122]
Methanol 283.15 - 2.465 [122]
Methanol 288.15 - 2.908 [122]
Methanol 293.15 - 3.597 [122]
Methanol 298.15 - 4.48 [122]
Methanol 303.15 - 5.442 [122]
Methanol 308.15 - 6.593 [122]
Methanol 313.15 - 7.903 [122]
Methanol 318.15 - 9.398 [122]
Methanol 323.15 - 11.2 [122]
Methyl ethyl ketone 289.65 - 32.95 [123]
Methyl ethyl ketone 296.95 - 37.23 [123]
Methyl ethyl ketone 302.95 - 40.66 [123]
Methyl ethyl ketone 308.25 - 45.59 [123]
Methyl ethyl ketone 315.05 - 49.65 [123]
Methyl ethyl ketone 320.4 - 54.4 [123]
Methyl ethyl ketone 325.45 - 57.76 [123]
Methyl ethyl ketone 330.35 - 62.05 [123]
N-Methyl-2-pyrrolidone 278.15 - 124.5 [122]
N-Methyl-2-pyrrolidone 283.15 - 132.0 [122]
N-Methyl-2-pyrrolidone 288.15 - 141.6 [122]
N-Methyl-2-pyrrolidone 293.15 - 151.0 [122]
N-Methyl-2-pyrrolidone 295.55 - 161.1 [123]
N-Methyl-2-pyrrolidone 298.15 - 162.3 [122]
N-Methyl-2-pyrrolidone 300.65 - 172.5 [123]
N-Methyl-2-pyrrolidone 303.15 - 171.8 [122]
N-Methyl-2-pyrrolidone 305.75 - 183.2 [123]
N-Methyl-2-pyrrolidone 308.15 - 182.5 [122]
N-Methyl-2-pyrrolidone 310.0 - 195.2 [123]
N-Methyl-2-pyrrolidone 313.15 - 194.7 [122]
N-Methyl-2-pyrrolidone 315.1 - 206.1 [123]
N-Methyl-2-pyrrolidone 318.15 - 205.9 [122]
N-Methyl-2-pyrrolidone 320.6 - 216.7 [123]
N-Methyl-2-pyrrolidone 323.15 - 217.8 [122]
N-Methyl-2-pyrrolidone 325.45 - 228.5 [123]
N-Methyl-2-pyrrolidone 330.45 - 239.7 [123]
N-Methyl-2-pyrrolidone 335.55 - 252.7 [123]
N-Methyl-2-pyrrolidone 340.35 - 267.0 [123]
N-Methyl-2-pyrrolidone 345.55 - 287.9 [123]
N-Methyl-2-pyrrolidone 350.35 - 302.0 [123]
N-Methyl-2-pyrrolidone 355.65 - 314.8 [123]
Water 278.15 - 0.0038 [122]
Water 283.15 - 0.00489 [122]
Water 288.15 - 0.006 [122]
Water 293.15 - 0.0076 [122]
Water 298.15 - 0.0092 [122]
Water 303.15 - 0.0111 [122]
Water 308.15 - 0.014 [122]
Water 313.15 - 0.0173 [122]
Water 318.15 - 0.0214 [122]
Water 323.15 - 0.0263 [122]

Molecule 3D descriptors

Descriptor Value
PMI1 1381.1885
PMI2 3247.4682
PMI3 3836.7913
NPR1 0.3600
NPR2 0.8464
RadiusOfGyration 3.4639
InertialShapeFactor 0.0006
Eccentricity 0.9330
Asphericity 0.2752
SpherocityIndex 0.3780
PBF 1.1820