N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide
Formula:C23H15N4O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-phenylquinoline-4-carboxamide |
| MolecularFormula | C23H15N4O3Cl |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(c2cc(-c3ccccc3)nc3ccccc23)=O)c1Cl)=O |
| InChI | InChI=1S/C23H15ClN4O3/c24-20-11-10-17(28(30)31)12-16(20)14-25-27-23(29)19-13-22(15-6-2-1-3-7-15)26-21-9-5-4-8-18(19)21/h1-14H,(H,27,29) |
| InChIK | LHDXGUTXTLTPSM-UHFFFAOYSA-N |
| TotalMolweight | 430.85 |
| Molweight | 430.85 |
| MonoisotopicMass | 430.083268 |
| CLogP | 4.9522 |
| CLogS | -7.401 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.2 |
| Relative PSA | 0.24248 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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