N-[(Z)-(3-nitrophenyl)methylideneamino]quinolin-2-amine
Formula:C16H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]quinolin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]quinolin-2-amine |
| MolecularFormula | C16H12N4O2 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nc3ccccc3cc2)ccc1)=O |
| InChI | InChI=1S/C16H12N4O2/c21-20(22)14-6-3-4-12(10-14)11-17-19-16-9-8-13-5-1-2-7-15(13)18-16/h1-11H,(H,18,19) |
| InChIK | KMZUXMDECSSILM-UHFFFAOYSA-N |
| TotalMolweight | 292.297 |
| Molweight | 292.297 |
| MonoisotopicMass | 292.096026 |
| CLogP | 4.4163 |
| CLogS | -4.84 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226.27 |
| Relative PSA | 0.28444 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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