N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylmethanamine
Formula:C14H13N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C14H13N3O2 |
| Smiles | [O-][N+](c1ccc(/C=N\NCc2ccccc2)cc1)=O |
| InChI | InChI=1S/C14H13N3O2/c18-17(19)14-8-6-13(7-9-14)11-16-15-10-12-4-2-1-3-5-12/h1-9,11,15H,10H2 |
| InChIK | IZMYAQCPISEKGI-UHFFFAOYSA-N |
| TotalMolweight | 255.276 |
| Molweight | 255.276 |
| MonoisotopicMass | 255.100777 |
| CLogP | 2.1976 |
| CLogS | -4.052 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.67 |
| Relative PSA | 0.25833 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -2.4889 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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