(Z)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-nitrophenyl)methanimine
Formula:C14H10N3O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-nitrophenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-[(Z)-(4-bromophenyl)methylideneamino]-1-(4-nitrophenyl)methanimine |
| MolecularFormula | C14H10N3O2Br |
| Smiles | [O-][N+](c1ccc(/C=N\N=C/c(cc2)ccc2Br)cc1)=O |
| InChI | InChI=1S/C14H10BrN3O2/c15-13-5-1-11(2-6-13)9-16-17-10-12-3-7-14(8-4-12)18(19)20/h1-10H |
| InChIK | LTOMVKJMKKOUCL-UHFFFAOYSA-N |
| TotalMolweight | 332.156 |
| Molweight | 332.156 |
| MonoisotopicMass | 330.995638 |
| CLogP | 4.5892 |
| CLogS | -5.426 |
| H Acceptors | 5 |
| TotalSurfaceArea | 224.84 |
| Relative PSA | 0.23768 |
| PolarSurfaceArea | 70.54 |
| Druglikeness | -5.6124 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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