4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]benzonitrile
Formula:C14H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]benzonitrile |
| MolecularFormula | C14H10N4O2 |
| Smiles | N#Cc1ccc(/C=N\Nc(cccc2)c2[N+]([O-])=O)cc1 |
| InChI | InChI=1S/C14H10N4O2/c15-9-11-5-7-12(8-6-11)10-16-17-13-3-1-2-4-14(13)18(19)20/h1-8,10,17H |
| InChIK | KFEBRBRFEHQRRD-UHFFFAOYSA-N |
| TotalMolweight | 266.259 |
| Molweight | 266.259 |
| MonoisotopicMass | 266.080376 |
| CLogP | 3.7549 |
| CLogS | -4.382 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 214.62 |
| Relative PSA | 0.31195 |
| PolarSurfaceArea | 94 |
| Druglikeness | -7.4121 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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