N-[(Z)-(4-nitrophenyl)methylideneamino]naphthalen-2-amine
Formula:C17H13N3O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]naphthalen-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]naphthalen-2-amine |
| MolecularFormula | C17H13N3O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2cc3ccccc3cc2)cc1)=O |
| InChI | InChI=1S/C17H13N3O2/c21-20(22)17-9-5-13(6-10-17)12-18-19-16-8-7-14-3-1-2-4-15(14)11-16/h1-12,19H |
| InChIK | DKCVYNSCSVFZSG-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 5.1137 |
| CLogS | -5.215 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 227.51 |
| Relative PSA | 0.23467 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -3.1321 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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