(E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Formula:C16H11N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-N-(furan-2-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide |
| MolecularFormula | C16H11N2O2F3 |
| Smiles | N#C/C(/C(NCc1ccco1)=O)=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C16H11F3N2O2/c17-16(18,19)13-5-3-11(4-6-13)8-12(9-20)15(22)21-10-14-2-1-7-23-14/h1-8H,10H2,(H,21,22) |
| InChIK | UFPHGHYHEFZMFM-UHFFFAOYSA-N |
| TotalMolweight | 320.269 |
| Molweight | 320.269 |
| MonoisotopicMass | 320.077262 |
| CLogP | 2.7347 |
| CLogS | -4.046 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 241.56 |
| Relative PSA | 0.21597 |
| PolarSurfaceArea | 66.03 |
| Druglikeness | -8.735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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