(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
Formula:C17H10N2O2ClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide |
| MolecularFormula | C17H10N2O2ClF3 |
| Smiles | N#C/C(/C(Nc(cc1)cc(Cl)c1F)=O)=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C17H10ClF3N2O2/c18-14-8-12(3-6-15(14)19)23-16(24)11(9-22)7-10-1-4-13(5-2-10)25-17(20)21/h1-8,17H,(H,23,24) |
| InChIK | PMBPCFANJKFILJ-UHFFFAOYSA-N |
| TotalMolweight | 366.725 |
| Molweight | 366.725 |
| MonoisotopicMass | 366.038289 |
| CLogP | 3.8645 |
| CLogS | -5.442 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.62 |
| Relative PSA | 0.18094 |
| PolarSurfaceArea | 62.12 |
| Druglikeness | -4.4888 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide | 2 - (E)-N-(3-chloro-4-fluorophenyl)-2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enamide
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