(4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxo-5-phenylhexanamide
Formula:C24H19N2O3BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxo-5-phenylhexanamide is not a drug-like molecule.
| MolName | (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxo-5-phenylhexanamide |
| MolecularFormula | C24H19N2O3BrCl2 |
| Smiles | O/N=C(\CCC(Nc(cc1)cc(Cl)c1Cl)=O)/C(C(c(cc1)ccc1Br)=O)c1ccccc1 |
| InChI | InChI=1S/C24H19BrCl2N2O3/c25-17-8-6-16(7-9-17)24(31)23(15-4-2-1-3-5-15)21(29-32)12-13-22(30)28-18-10-11-19(26)20(27)14-18/h1-11,14,23,32H,12-13H2,(H,28,30)/t23-/m0/s1 |
| InChIK | ANQWRVUXGDCDIT-QHCPKHFHSA-N |
| TotalMolweight | 534.236 |
| Molweight | 534.236 |
| MonoisotopicMass | 531.995608 |
| CLogP | 6.6551 |
| CLogS | -7.92 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 358.55 |
| Relative PSA | 0.17334 |
| PolarSurfaceArea | 78.76 |
| Druglikeness | -0.80818 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxo-5-phenylhexanamide | 2 - (4E)-6-(4-bromophenyl)-N-(3,4-dichlorophenyl)-4-hydroxyimino-6-oxo-5-phenylhexanamide
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