(E)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide
Formula:C16H11NO2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C16H11NO2ClF3 |
| Smiles | O=C(/C=C/c(cc1)ccc1OC(F)(F)F)Nc(cc1)ccc1Cl |
| InChI | InChI=1S/C16H11ClF3NO2/c17-12-4-6-13(7-5-12)21-15(22)10-3-11-1-8-14(9-2-11)23-16(18,19)20/h1-10H,(H,21,22) |
| InChIK | MIVCMSICAPTAFE-UHFFFAOYSA-N |
| TotalMolweight | 341.715 |
| Molweight | 341.715 |
| MonoisotopicMass | 341.04304 |
| CLogP | 4.8413 |
| CLogS | -5.257 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 243.61 |
| Relative PSA | 0.14162 |
| PolarSurfaceArea | 38.33 |
| Druglikeness | -8.3729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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