| MolName | (4E)-1,1,1-trifluoro-5-phenyl-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol |
| MolecularFormula | C18H16N2OF6 |
| Smiles | OC(C/C(/Cc1ccccc1)=N/Nc1ccccc1)(C(F)(F)F)C(F)(F)F |
| InChI | InChI=1S/C18H16F6N2O/c19-17(20,21)16(27,18(22,23)24)12-15(11-13-7-3-1-4-8-13)26-25-14-9-5-2-6-10-14/h1-10,25,27H,11-12H2 |
| InChIK | OAHPSSAZMQFCQH-UHFFFAOYSA-N |
| TotalMolweight | 390.326 |
| Molweight | 390.326 |
| MonoisotopicMass | 390.116681 |
| CLogP | 6.3047 |
| CLogS | -4.98 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 270.65 |
| Relative PSA | 0.13327 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | -16.728 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 10 |
| StereoCon |
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1 - (4E)-1,1,1-trifluoro-5-phenyl-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol | 2 - (4E)-1,1,1-trifluoro-5-phenyl-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol