3-nitro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline
Formula:C16H12N4O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-quinolin-6-ylmethylideneamino]aniline |
| MolecularFormula | C16H12N4O2 |
| Smiles | [O-][N+](c1cc(N/N=C\c2cc3cccnc3cc2)ccc1)=O |
| InChI | InChI=1S/C16H12N4O2/c21-20(22)15-5-1-4-14(10-15)19-18-11-12-6-7-16-13(9-12)3-2-8-17-16/h1-11,19H |
| InChIK | OFBIQERJRIUHGU-UHFFFAOYSA-N |
| TotalMolweight | 292.297 |
| Molweight | 292.297 |
| MonoisotopicMass | 292.096026 |
| CLogP | 4.2353 |
| CLogS | -4.315 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 226.27 |
| Relative PSA | 0.28444 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -3.1321 |
| Mutagenic | high |
| 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 |
| AcidicOxygens | 1 |
| StereoCon |
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