| MolName | (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxohexanamide |
| MolecularFormula | C18H15N2O3BrCl2 |
| Smiles | O/N=C(\CCC(Nc(cc1)cc(Cl)c1Cl)=O)/CC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C18H15BrCl2N2O3/c19-12-3-1-11(2-4-12)17(24)10-14(23-26)6-8-18(25)22-13-5-7-15(20)16(21)9-13/h1-5,7,9,26H,6,8,10H2,(H,22,25) |
| InChIK | WTKQQQDCJGOZNJ-UHFFFAOYSA-N |
| TotalMolweight | 458.138 |
| Molweight | 458.138 |
| MonoisotopicMass | 455.964308 |
| CLogP | 5.2401 |
| CLogS | -6.687 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 300.05 |
| Relative PSA | 0.20713 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -1.1988 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxohexanamide | 2 - (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxohexanamide