(E)-3-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H10NOBrClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-bromophenyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H10NOBrClF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)Nc(cc(C(F)(F)F)cc1)c1Cl |
| InChI | InChI=1S/C16H10BrClF3NO/c17-12-5-1-10(2-6-12)3-8-15(23)22-14-9-11(16(19,20)21)4-7-13(14)18/h1-9H,(H,22,23) |
| InChIK | XUODZCPILKPFON-UHFFFAOYSA-N |
| TotalMolweight | 404.612 |
| Molweight | 404.612 |
| MonoisotopicMass | 402.958636 |
| CLogP | 5.3158 |
| CLogS | -5.846 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 252.24 |
| Relative PSA | 0.09713 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -9.3429 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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