6-chloro-1-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-3,4-dihydropyridin-2-one
Formula:C18H16N3OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
6-chloro-1-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-3,4-dihydropyridin-2-one is not a drug-like molecule.
| MolName | 6-chloro-1-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-3,4-dihydropyridin-2-one |
| MolecularFormula | C18H16N3OCl |
| Smiles | O=C(CC1)N(c2ccccc2)C(Cl)=C1/C=N\Nc1ccccc1 |
| InChI | InChI=1S/C18H16ClN3O/c19-18-14(13-20-21-15-7-3-1-4-8-15)11-12-17(23)22(18)16-9-5-2-6-10-16/h1-10,13,21H,11-12H2 |
| InChIK | UONAOLFJFMHXLC-UHFFFAOYSA-N |
| TotalMolweight | 325.798 |
| Molweight | 325.798 |
| MonoisotopicMass | 325.098189 |
| CLogP | 5.1582 |
| CLogS | -4.612 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.65 |
| Relative PSA | 0.15846 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 3.438 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - 6-chloro-1-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-3,4-dihydropyridin-2-one | 2 - 6-chloro-1-phenyl-5-[(Z)-(phenylhydrazinylidene)methyl]-3,4-dihydropyridin-2-one
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