(E)-2-cyano-3-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C21H13N2OF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-2-cyano-3-naphthalen-1-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C21H13N2OF3 |
| Smiles | N#C/C(/C(Nc1cccc(C(F)(F)F)c1)=O)=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C21H13F3N2O/c22-21(23,24)17-8-4-9-18(12-17)26-20(27)16(13-25)11-15-7-3-6-14-5-1-2-10-19(14)15/h1-12H,(H,26,27) |
| InChIK | JVKVFGYAFQGQHK-UHFFFAOYSA-N |
| TotalMolweight | 366.341 |
| Molweight | 366.341 |
| MonoisotopicMass | 366.097997 |
| CLogP | 5.031 |
| CLogS | -6.154 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.71 |
| Relative PSA | 0.13956 |
| PolarSurfaceArea | 52.89 |
| Druglikeness | -8.9489 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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