(2E)-2-[(Z)-(2-bromophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
Formula:C21H15N2OBr
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-[(Z)-(2-bromophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone is not a drug-like molecule.
| MolName | (2E)-2-[(Z)-(2-bromophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone |
| MolecularFormula | C21H15N2OBr |
| Smiles | O=C(/C(/c1ccccc1)=N/N=C\c(cccc1)c1Br)c1ccccc1 |
| InChI | InChI=1S/C21H15BrN2O/c22-19-14-8-7-13-18(19)15-23-24-20(16-9-3-1-4-10-16)21(25)17-11-5-2-6-12-17/h1-15H |
| InChIK | UHNAAIIUBVXPLV-UHFFFAOYSA-N |
| TotalMolweight | 391.267 |
| Molweight | 391.267 |
| MonoisotopicMass | 390.036774 |
| CLogP | 6.0023 |
| CLogS | -6.642 |
| H Acceptors | 3 |
| TotalSurfaceArea | 276.89 |
| Relative PSA | 0.13023 |
| PolarSurfaceArea | 41.79 |
| Druglikeness | 1.0072 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (2E)-2-[(Z)-(2-bromophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone | 2 - (2E)-2-[(Z)-(2-bromophenyl)methylidenehydrazinylidene]-1,2-diphenylethanone
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