3-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
Formula:C13H9N2OCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
3-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol is not a drug-like molecule.
| MolName | 3-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C13H9N2OCl3 |
| Smiles | Oc1cccc(/C=N\Nc(c(Cl)cc(Cl)c2)c2Cl)c1 |
| InChI | InChI=1S/C13H9Cl3N2O/c14-9-5-11(15)13(12(16)6-9)18-17-7-8-2-1-3-10(19)4-8/h1-7,18-19H |
| InChIK | ZFTYBXYMVPHKRX-UHFFFAOYSA-N |
| TotalMolweight | 315.586 |
| Molweight | 315.586 |
| MonoisotopicMass | 313.978044 |
| CLogP | 6.3132 |
| CLogS | -5.061 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 221.85 |
| Relative PSA | 0.16259 |
| PolarSurfaceArea | 44.62 |
| Druglikeness | 2.1704 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - 3-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol | 2 - 3-[(Z)-[(2,4,6-trichlorophenyl)hydrazinylidene]methyl]phenol
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