(E)-N-(2-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
Formula:C17H11N2O2ClF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C17H11N2O2ClF2 |
| Smiles | N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C17H11ClF2N2O2/c18-13-6-2-3-7-14(13)22-16(23)12(10-21)9-11-5-1-4-8-15(11)24-17(19)20/h1-9,17H,(H,22,23) |
| InChIK | PNPUXISHPVKPFS-UHFFFAOYSA-N |
| TotalMolweight | 348.735 |
| Molweight | 348.735 |
| MonoisotopicMass | 348.047711 |
| CLogP | 3.7637 |
| CLogS | -5.128 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 259.27 |
| Relative PSA | 0.18537 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -4.4888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.54167 |
| 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 | 1 |
| Amides | 1 |
| StereoCon |
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