N-benzyl-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-phenylmethanamine
Formula:C21H19N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(3-nitrophenyl)methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C21H19N3O2 |
| Smiles | [O-][N+](c1cc(/C=N\N(Cc2ccccc2)Cc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C21H19N3O2/c25-24(26)21-13-7-12-20(14-21)15-22-23(16-18-8-3-1-4-9-18)17-19-10-5-2-6-11-19/h1-15H,16-17H2 |
| InChIK | NGUHBPRKJWHLBK-UHFFFAOYSA-N |
| TotalMolweight | 345.401 |
| Molweight | 345.401 |
| MonoisotopicMass | 345.147727 |
| CLogP | 3.6527 |
| CLogS | -4.87 |
| H Acceptors | 5 |
| TotalSurfaceArea | 279.03 |
| Relative PSA | 0.16299 |
| PolarSurfaceArea | 61.42 |
| Druglikeness | -1.0803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 9 |
| AcidicOxygens | 1 |
| StereoCon |
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