(2Z)-2-[(4-bromophenyl)methoxyimino]-N-[3-(trifluoromethyl)phenyl]acetamide
Formula:C16H12N2O2BrF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[(4-bromophenyl)methoxyimino]-N-[3-(trifluoromethyl)phenyl]acetamide is a drug-like molecule.
| MolName | (2Z)-2-[(4-bromophenyl)methoxyimino]-N-[3-(trifluoromethyl)phenyl]acetamide |
| MolecularFormula | C16H12N2O2BrF3 |
| Smiles | O=C(/C=N\OCc(cc1)ccc1Br)Nc1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C16H12BrF3N2O2/c17-13-6-4-11(5-7-13)10-24-21-9-15(23)22-14-3-1-2-12(8-14)16(18,19)20/h1-9H,10H2,(H,22,23) |
| InChIK | BMMMWMMQJXFSRS-UHFFFAOYSA-N |
| TotalMolweight | 401.181 |
| Molweight | 401.181 |
| MonoisotopicMass | 400.003423 |
| CLogP | 4.0406 |
| CLogS | -4.98 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 258.84 |
| Relative PSA | 0.17775 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -7.0884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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