| MolName | (5E)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide |
| MolecularFormula | C19H19N2O3Br |
| Smiles | O/N=C(\CCCC(Nc1ccccc1)=O)/CC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C19H19BrN2O3/c20-15-11-9-14(10-12-15)18(23)13-17(22-25)7-4-8-19(24)21-16-5-2-1-3-6-16/h1-3,5-6,9-12,25H,4,7-8,13H2,(H,21,24) |
| InChIK | NYHLULSTEBJGGS-UHFFFAOYSA-N |
| TotalMolweight | 403.275 |
| Molweight | 403.275 |
| MonoisotopicMass | 402.057904 |
| CLogP | 4.4825 |
| CLogS | -5.485 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 282.97 |
| Relative PSA | 0.21963 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -4.5892 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - (5E)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide | 2 - (5E)-7-(4-bromophenyl)-5-hydroxyimino-7-oxo-N-phenylheptanamide