(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)prop-2-enamide
Formula:C17H11N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(4-fluorophenyl)prop-2-enamide |
| MolecularFormula | C17H11N2O2F3 |
| Smiles | N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H11F3N2O2/c18-13-3-5-14(6-4-13)22-16(23)12(10-21)9-11-1-7-15(8-2-11)24-17(19)20/h1-9,17H,(H,22,23) |
| InChIK | KBJKJFUGSGUQCT-UHFFFAOYSA-N |
| TotalMolweight | 332.28 |
| Molweight | 332.28 |
| MonoisotopicMass | 332.077262 |
| CLogP | 3.2585 |
| CLogS | -4.706 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.2 |
| Relative PSA | 0.19209 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -4.5491 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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