7-chloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-4-amine
Formula:C16H10N4O2Cl2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C16H10N4O2Cl2 |
| Smiles | [O-][N+](c(cc(/C=N\Nc1ccnc2cc(Cl)ccc12)cc1)c1Cl)=O |
| InChI | InChI=1S/C16H10Cl2N4O2/c17-11-2-3-12-14(5-6-19-15(12)8-11)21-20-9-10-1-4-13(18)16(7-10)22(23)24/h1-9H,(H,19,21) |
| InChIK | BAJXOYXGGNYKRA-UHFFFAOYSA-N |
| TotalMolweight | 361.187 |
| Molweight | 361.187 |
| MonoisotopicMass | 360.01808 |
| CLogP | 5.2769 |
| CLogS | -5.787 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 257.11 |
| Relative PSA | 0.25032 |
| 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 | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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