(E)-2-cyano-3-(4-cyanophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C18H10N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-(4-cyanophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-(4-cyanophenyl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C18H10N3OF3 |
| Smiles | N#C/C(/C(Nc1ccc(C(F)(F)F)cc1)=O)=C\c(cc1)ccc1C#N |
| InChI | InChI=1S/C18H10F3N3O/c19-18(20,21)15-5-7-16(8-6-15)24-17(25)14(11-23)9-12-1-3-13(10-22)4-2-12/h1-9H,(H,24,25) |
| InChIK | YRJWPAJTAWMEPP-UHFFFAOYSA-N |
| TotalMolweight | 341.291 |
| Molweight | 341.291 |
| MonoisotopicMass | 341.077596 |
| CLogP | 3.6722 |
| CLogS | -5.321 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.82 |
| Relative PSA | 0.19868 |
| PolarSurfaceArea | 76.68 |
| Druglikeness | -8.9489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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