3-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]benzonitrile
Formula:C14H9N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]benzonitrile is not a drug-like molecule.
| MolName | 3-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]benzonitrile |
| MolecularFormula | C14H9N3Cl2 |
| Smiles | N#Cc(cc1)cc(Cl)c1N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C14H9Cl2N3/c15-12-4-1-10(2-5-12)9-18-19-14-6-3-11(8-17)7-13(14)16/h1-7,9,19H |
| InChIK | VWIKXONFAYZCPM-UHFFFAOYSA-N |
| TotalMolweight | 290.152 |
| Molweight | 290.152 |
| MonoisotopicMass | 289.017351 |
| CLogP | 5.8885 |
| CLogS | -5.394 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 221.79 |
| Relative PSA | 0.16471 |
| PolarSurfaceArea | 48.18 |
| Druglikeness | -1.8955 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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