N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H16N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H16N4O3 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2cc(-c3ccccc3)nc3ccccc23)=O)ccc1)=O |
| InChI | InChI=1S/C23H16N4O3/c28-23(26-24-15-16-7-6-10-18(13-16)27(29)30)20-14-22(17-8-2-1-3-9-17)25-21-12-5-4-11-19(20)21/h1-15H,(H,26,28) |
| InChIK | WKIOQEXDIILADK-UHFFFAOYSA-N |
| TotalMolweight | 396.405 |
| Molweight | 396.405 |
| MonoisotopicMass | 396.122241 |
| CLogP | 4.3462 |
| CLogS | -6.665 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 303.78 |
| Relative PSA | 0.25479 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.75305 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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