(5Z)-1,1,1-trichloro-5-phenyl-5-(phenylhydrazinylidene)pentan-3-ol
Formula:C17H17N2OCl3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(5Z)-1,1,1-trichloro-5-phenyl-5-(phenylhydrazinylidene)pentan-3-ol is not a drug-like molecule.
| MolName | (5Z)-1,1,1-trichloro-5-phenyl-5-(phenylhydrazinylidene)pentan-3-ol |
| MolecularFormula | C17H17N2OCl3 |
| Smiles | OC(CC(Cl)(Cl)Cl)C/C(/c1ccccc1)=N/Nc1ccccc1 |
| InChI | InChI=1S/C17H17Cl3N2O/c18-17(19,20)12-15(23)11-16(13-7-3-1-4-8-13)22-21-14-9-5-2-6-10-14/h1-10,15,21,23H,11-12H2/t15-/m1/s1 |
| InChIK | SHKKYPMKPQTNOR-OAHLLOKOSA-N |
| TotalMolweight | 371.694 |
| Molweight | 371.694 |
| MonoisotopicMass | 370.040644 |
| CLogP | 6.5647 |
| CLogS | -5.121 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 270.49 |
| Relative PSA | 0.13335 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | 1.576 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
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