(E)-N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
Formula:C18H14N2O2F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-benzyl-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C18H14N2O2F2 |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C18H14F2N2O2/c19-18(20)24-16-8-6-13(7-9-16)10-15(11-21)17(23)22-12-14-4-2-1-3-5-14/h1-10,18H,12H2,(H,22,23) |
| InChIK | SRHGLMXXDOOKIJ-UHFFFAOYSA-N |
| TotalMolweight | 328.317 |
| Molweight | 328.317 |
| MonoisotopicMass | 328.102334 |
| CLogP | 2.8671 |
| CLogS | -4.208 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.61 |
| Relative PSA | 0.18656 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -4.1073 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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