(3Z)-N-(4-bromophenyl)-3-[(3,4-dichlorophenyl)methoxyimino]propanamide
Formula:C16H13N2O2BrCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(3Z)-N-(4-bromophenyl)-3-[(3,4-dichlorophenyl)methoxyimino]propanamide is a drug-like molecule.
| MolName | (3Z)-N-(4-bromophenyl)-3-[(3,4-dichlorophenyl)methoxyimino]propanamide |
| MolecularFormula | C16H13N2O2BrCl2 |
| Smiles | O=C(C/C=N\OCc(cc1)cc(Cl)c1Cl)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C16H13BrCl2N2O2/c17-12-2-4-13(5-3-12)21-16(22)7-8-20-23-10-11-1-6-14(18)15(19)9-11/h1-6,8-9H,7,10H2,(H,21,22) |
| InChIK | QQULNPQQAGCGFI-UHFFFAOYSA-N |
| TotalMolweight | 416.101 |
| Molweight | 416.101 |
| MonoisotopicMass | 413.953743 |
| CLogP | 4.8587 |
| CLogS | -5.944 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 273.98 |
| Relative PSA | 0.16793 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 0.36892 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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