N-[(Z)-(4-nitrophenyl)methylideneamino]-N-phenylaniline
Formula:C19H15N3O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-N-phenylaniline is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-N-phenylaniline |
| MolecularFormula | C19H15N3O2 |
| Smiles | [O-][N+](c1ccc(/C=N\N(c2ccccc2)c2ccccc2)cc1)=O |
| InChI | InChI=1S/C19H15N3O2/c23-22(24)19-13-11-16(12-14-19)15-20-21(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15H |
| InChIK | ZMRXHMGFOHTCQU-UHFFFAOYSA-N |
| TotalMolweight | 317.347 |
| Molweight | 317.347 |
| MonoisotopicMass | 317.116427 |
| CLogP | 4.3072 |
| CLogS | -6.186 |
| H Acceptors | 5 |
| TotalSurfaceArea | 251.51 |
| Relative PSA | 0.18083 |
| PolarSurfaceArea | 61.42 |
| Druglikeness | -2.1403 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| AcidicOxygens | 1 |
| StereoCon |
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