4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]benzonitrile
Formula:C21H15N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]benzonitrile is not a drug-like molecule.
| MolName | 4-[(Z)-(benzhydrylidenehydrazinylidene)methyl]benzonitrile |
| MolecularFormula | C21H15N3 |
| Smiles | N#Cc1ccc(/C=N\N=C(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C21H15N3/c22-15-17-11-13-18(14-12-17)16-23-24-21(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,16H |
| InChIK | SNTBELBXKNTMKQ-UHFFFAOYSA-N |
| TotalMolweight | 309.371 |
| Molweight | 309.371 |
| MonoisotopicMass | 309.126597 |
| CLogP | 5.8179 |
| CLogS | -6.681 |
| H Acceptors | 3 |
| TotalSurfaceArea | 262.22 |
| Relative PSA | 0.1395 |
| PolarSurfaceArea | 48.51 |
| Druglikeness | -2.3381 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 10 |
| StereoCon |
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