N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]aniline
Formula:C20H17N2OBr
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromo-4-phenylmethoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C20H17N2OBr |
| Smiles | Brc(cc(/C=N\Nc1ccccc1)cc1)c1OCc1ccccc1 |
| InChI | InChI=1S/C20H17BrN2O/c21-19-13-17(14-22-23-18-9-5-2-6-10-18)11-12-20(19)24-15-16-7-3-1-4-8-16/h1-14,23H,15H2 |
| InChIK | GMICXDAFSIVDMS-UHFFFAOYSA-N |
| TotalMolweight | 381.272 |
| Molweight | 381.272 |
| MonoisotopicMass | 380.052424 |
| CLogP | 6.9142 |
| CLogS | -5.324 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 271.39 |
| Relative PSA | 0.12149 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -0.16116 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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