4-[(Z)-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]methyl]benzonitrile
Formula:C16H10N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[(Z)-(4-cyanophenyl)methylidenehydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C16H10N4 |
| Smiles | N#Cc1ccc(/C=N\N=C/c(cc2)ccc2C#N)cc1 |
| InChI | InChI=1S/C16H10N4/c17-9-13-1-5-15(6-2-13)11-19-20-12-16-7-3-14(10-18)4-8-16/h1-8,11-12H |
| InChIK | BBRZAJNFXHDEIS-UHFFFAOYSA-N |
| TotalMolweight | 258.283 |
| Molweight | 258.283 |
| MonoisotopicMass | 258.090546 |
| CLogP | 4.4568 |
| CLogS | -5.678 |
| H Acceptors | 4 |
| TotalSurfaceArea | 225.96 |
| Relative PSA | 0.2219 |
| PolarSurfaceArea | 72.3 |
| Druglikeness | -2.4828 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 12 |
| StereoCon |
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