(4Z)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-(phenylhydrazinylidene)butan-2-ol
Formula:C11H10N2OCl2F4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
(4Z)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-(phenylhydrazinylidene)butan-2-ol is not a drug-like molecule.
| MolName | (4Z)-1-chloro-2-[chloro(difluoro)methyl]-1,1-difluoro-4-(phenylhydrazinylidene)butan-2-ol |
| MolecularFormula | C11H10N2OCl2F4 |
| Smiles | OC(C/C=N\Nc1ccccc1)(C(F)(F)Cl)C(F)(F)Cl |
| InChI | InChI=1S/C11H10Cl2F4N2O/c12-10(14,15)9(20,11(13,16)17)6-7-18-19-8-4-2-1-3-5-8/h1-5,7,19-20H,6H2 |
| InChIK | INSNAKPJFGVZNH-UHFFFAOYSA-N |
| TotalMolweight | 333.111 |
| Molweight | 333.111 |
| MonoisotopicMass | 332.010629 |
| CLogP | 5.285 |
| CLogS | -4.949 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 217.06 |
| Relative PSA | 0.16618 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | -1.8666 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| StereoCon |
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