(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide
Formula:C19H16N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(2-phenylethyl)prop-2-enamide |
| MolecularFormula | C19H16N2O2F2 |
| Smiles | N#C/C(/C(NCCc1ccccc1)=O)=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C19H16F2N2O2/c20-19(21)25-17-8-6-15(7-9-17)12-16(13-22)18(24)23-11-10-14-4-2-1-3-5-14/h1-9,12,19H,10-11H2,(H,23,24) |
| InChIK | CJAZPWZZDYSDIL-UHFFFAOYSA-N |
| TotalMolweight | 342.344 |
| Molweight | 342.344 |
| MonoisotopicMass | 342.117984 |
| CLogP | 3.2972 |
| CLogS | -4.32 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 271.37 |
| Relative PSA | 0.1771 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -3.9887 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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