| MolName | 4-bromo-N'-[(3E,5E)-6-phenylhexa-1,3,5-trien-2-yl]benzohydrazide |
| MolecularFormula | C19H17N2OBr |
| Smiles | C=C(/C=C/C=C/c1ccccc1)NNC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C19H17BrN2O/c1-15(7-5-6-10-16-8-3-2-4-9-16)21-22-19(23)17-11-13-18(20)14-12-17/h2-14,21H,1H2,(H,22,23) |
| InChIK | ZPMRIUCOJVPALR-UHFFFAOYSA-N |
| TotalMolweight | 369.261 |
| Molweight | 369.261 |
| MonoisotopicMass | 368.052424 |
| CLogP | 4.7071 |
| CLogS | -5.491 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 268.07 |
| Relative PSA | 0.13414 |
| PolarSurfaceArea | 41.13 |
| Druglikeness | -2.395 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 4-bromo-N'-[(3E,5E)-6-phenylhexa-1,3,5-trien-2-yl]benzohydrazide | 2 - 4-bromo-N'-[(3E,5E)-6-phenylhexa-1,3,5-trien-2-yl]benzohydrazide