(E)-3-(2-chlorophenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C17H10N2OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-(2-chlorophenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(2-chlorophenyl)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C17H10N2OClF3 |
| Smiles | N#C/C(/C(Nc1cc(C(F)(F)F)ccc1)=O)=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H10ClF3N2O/c18-15-7-2-1-4-11(15)8-12(10-22)16(24)23-14-6-3-5-13(9-14)17(19,20)21/h1-9H,(H,23,24) |
| InChIK | KLCINGNIOXCADQ-UHFFFAOYSA-N |
| TotalMolweight | 350.726 |
| Molweight | 350.726 |
| MonoisotopicMass | 350.043374 |
| CLogP | 4.4426 |
| CLogS | -5.284 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.53 |
| Relative PSA | 0.15012 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -8.8915 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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