N-[(Z)-(3-nitrophenyl)methylideneamino]benzo[cd]indol-2-amine
Formula:C18H12N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-nitrophenyl)methylideneamino]benzo[cd]indol-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]benzo[cd]indol-2-amine |
| MolecularFormula | C18H12N4O2 |
| Smiles | [O-][N+](c1cc(/C=N\NC(c2ccc3)=Nc4c2c3ccc4)ccc1)=O |
| InChI | InChI=1S/C18H12N4O2/c23-22(24)14-7-1-4-12(10-14)11-19-21-18-15-8-2-5-13-6-3-9-16(20-18)17(13)15/h1-11H,(H,20,21) |
| InChIK | OZKWLAVCNBJGIM-UHFFFAOYSA-N |
| TotalMolweight | 316.319 |
| Molweight | 316.319 |
| MonoisotopicMass | 316.096026 |
| CLogP | 3.2662 |
| CLogS | -5.919 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.98 |
| Relative PSA | 0.27386 |
| PolarSurfaceArea | 82.57 |
| Druglikeness | -2.7875 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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