4-[(Z)-(phenylhydrazinylidene)methyl]benzonitrile
Formula:C14H11N3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-(phenylhydrazinylidene)methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-(phenylhydrazinylidene)methyl]benzonitrile |
| MolecularFormula | C14H11N3 |
| Smiles | N#Cc1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C14H11N3/c15-10-12-6-8-13(9-7-12)11-16-17-14-4-2-1-3-5-14/h1-9,11,17H |
| InChIK | CXCWFSDDYJMHAM-UHFFFAOYSA-N |
| TotalMolweight | 221.262 |
| Molweight | 221.262 |
| MonoisotopicMass | 221.095297 |
| CLogP | 4.6765 |
| CLogS | -3.922 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 190.95 |
| Relative PSA | 0.19131 |
| PolarSurfaceArea | 48.18 |
| Druglikeness | -1.8575 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.76471 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 4 |
| StereoCon |
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