(2Z)-2-(diphenylhydrazinylidene)acetonitrile
Formula:C14H11N3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(diphenylhydrazinylidene)acetonitrile is a drug-like molecule.
| MolName | (2Z)-2-(diphenylhydrazinylidene)acetonitrile |
| MolecularFormula | C14H11N3 |
| Smiles | N#C/C=N\N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C14H11N3/c15-11-12-16-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,12H |
| InChIK | UMDRWCHPNVBOFJ-UHFFFAOYSA-N |
| TotalMolweight | 221.262 |
| Molweight | 221.262 |
| MonoisotopicMass | 221.095297 |
| CLogP | 2.7197 |
| CLogS | -4.626 |
| H Acceptors | 3 |
| TotalSurfaceArea | 189.79 |
| Relative PSA | 0.1508 |
| PolarSurfaceArea | 39.39 |
| Druglikeness | -0.87715 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| 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 | 8 |
| StereoCon |
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1 - (2Z)-2-(diphenylhydrazinylidene)acetonitrile | 2 - (2Z)-2-(diphenylhydrazinylidene)acetonitrile
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