2-(4-bromophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide
Formula:C23H15N4O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-(4-bromophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide is not a drug-like molecule.
| MolName | 2-(4-bromophenyl)-N-[(Z)-(3-nitrophenyl)methylideneamino]quinoline-4-carboxamide |
| MolecularFormula | C23H15N4O3Br |
| Smiles | [O-][N+](c1cccc(/C=N\NC(c2cc(-c(cc3)ccc3Br)nc3ccccc23)=O)c1)=O |
| InChI | InChI=1S/C23H15BrN4O3/c24-17-10-8-16(9-11-17)22-13-20(19-6-1-2-7-21(19)26-22)23(29)27-25-14-15-4-3-5-18(12-15)28(30)31/h1-14H,(H,27,29) |
| InChIK | IHDQNCUWRXXQBN-UHFFFAOYSA-N |
| TotalMolweight | 475.301 |
| Molweight | 475.301 |
| MonoisotopicMass | 474.032752 |
| CLogP | 5.0714 |
| CLogS | -7.499 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322.41 |
| Relative PSA | 0.24007 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -2.543 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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