N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide
Formula:C17H12N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-2-oxo-1H-quinoline-4-carboxamide |
| MolecularFormula | C17H12N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C(c(cccc2)c2N2)=CC2=O)=O)ccc1)=O |
| InChI | InChI=1S/C17H12N4O4/c22-16-9-14(13-6-1-2-7-15(13)19-16)17(23)20-18-10-11-4-3-5-12(8-11)21(24)25/h1-10H,(H,19,22)(H,20,23) |
| InChIK | ALTWWXAYDWBARZ-UHFFFAOYSA-N |
| TotalMolweight | 336.306 |
| Molweight | 336.306 |
| MonoisotopicMass | 336.085856 |
| CLogP | 0.8843 |
| CLogS | -4.168 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 251.08 |
| Relative PSA | 0.36216 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -0.785 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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