7-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]quinolin-4-amine
Formula:C16H11N4O2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]quinolin-4-amine is a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C16H11N4O2Cl |
| Smiles | [O-][N+](c1cccc(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)c1)=O |
| InChI | InChI=1S/C16H11ClN4O2/c17-12-4-5-14-15(6-7-18-16(14)9-12)20-19-10-11-2-1-3-13(8-11)21(22)23/h1-10H,(H,18,20) |
| InChIK | KROXZKBRXMLBEI-UHFFFAOYSA-N |
| TotalMolweight | 326.742 |
| Molweight | 326.742 |
| MonoisotopicMass | 326.057053 |
| CLogP | 4.6709 |
| CLogS | -5.051 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.69 |
| Relative PSA | 0.26629 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1042 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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