(E)-2-cyano-N-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide
Formula:C21H13N2O2F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-N-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-phenyl-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enamide |
| MolecularFormula | C21H13N2O2F3 |
| Smiles | N#C/C(/C(Nc1ccccc1)=O)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 |
| InChI | InChI=1S/C21H13F3N2O2/c22-21(23,24)16-6-4-5-14(11-16)19-10-9-18(28-19)12-15(13-25)20(27)26-17-7-2-1-3-8-17/h1-12H,(H,26,27) |
| InChIK | FHKAPAKUIYYMTE-UHFFFAOYSA-N |
| TotalMolweight | 382.34 |
| Molweight | 382.34 |
| MonoisotopicMass | 382.092912 |
| CLogP | 4.7755 |
| CLogS | -6.008 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 287.56 |
| Relative PSA | 0.18142 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -7.9519 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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