N-benzyl-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline
Formula:C20H17N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(3-nitrophenyl)methylideneamino]aniline |
| MolecularFormula | C20H17N3O2 |
| Smiles | [O-][N+](c1cc(/C=N\N(Cc2ccccc2)c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H17N3O2/c24-23(25)20-13-7-10-18(14-20)15-21-22(19-11-5-2-6-12-19)16-17-8-3-1-4-9-17/h1-15H,16H2 |
| InChIK | PMJOORVCADGAOD-UHFFFAOYSA-N |
| TotalMolweight | 331.374 |
| Molweight | 331.374 |
| MonoisotopicMass | 331.132077 |
| CLogP | 4.0502 |
| CLogS | -4.762 |
| H Acceptors | 5 |
| TotalSurfaceArea | 265.27 |
| Relative PSA | 0.17145 |
| PolarSurfaceArea | 61.42 |
| Druglikeness | -1.4262 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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