N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]quinolin-2-amine
Formula:C16H11N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]quinolin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromo-3-nitrophenyl)methylideneamino]quinolin-2-amine |
| MolecularFormula | C16H11N4O2Br |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc2ccccc2cc1)cc1)c1Br)=O |
| InChI | InChI=1S/C16H11BrN4O2/c17-13-7-5-11(9-15(13)21(22)23)10-18-20-16-8-6-12-3-1-2-4-14(12)19-16/h1-10H,(H,19,20) |
| InChIK | SEXABSDQHCCLPA-UHFFFAOYSA-N |
| TotalMolweight | 371.193 |
| Molweight | 371.193 |
| MonoisotopicMass | 370.006537 |
| CLogP | 5.1415 |
| CLogS | -5.674 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 244.9 |
| Relative PSA | 0.2628 |
| PolarSurfaceArea | 83.1 |
| Druglikeness | -4.9221 |
| Mutagenic | none |
| 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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