1-benzyl-5-[(Z)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile
Formula:C20H18N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-benzyl-5-[(Z)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile is a drug-like molecule.
| MolName | 1-benzyl-5-[(Z)-(phenylhydrazinylidene)methyl]-4H-pyridine-3-carbonitrile |
| MolecularFormula | C20H18N4 |
| Smiles | N#CC(C1)=CN(Cc2ccccc2)C=C1/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C20H18N4/c21-12-18-11-19(13-22-23-20-9-5-2-6-10-20)16-24(15-18)14-17-7-3-1-4-8-17/h1-10,13,15-16,23H,11,14H2 |
| InChIK | PBIDASPWDOYNKT-UHFFFAOYSA-N |
| TotalMolweight | 314.391 |
| Molweight | 314.391 |
| MonoisotopicMass | 314.153146 |
| CLogP | 4.1155 |
| CLogS | -3.847 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 264.69 |
| Relative PSA | 0.15142 |
| PolarSurfaceArea | 51.42 |
| Druglikeness | -0.046234 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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