(E)-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-enamide
Formula:C14H10NO2ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[3-chloro-4-(difluoromethoxy)phenyl]-3-thiophen-2-ylprop-2-enamide |
| MolecularFormula | C14H10NO2ClF2S |
| Smiles | O=C(/C=C/c1cccs1)Nc(cc1)cc(Cl)c1OC(F)F |
| InChI | InChI=1S/C14H10ClF2NO2S/c15-11-8-9(3-5-12(11)20-14(16)17)18-13(19)6-4-10-2-1-7-21-10/h1-8,14H,(H,18,19) |
| InChIK | ZTSGAHPPEQHVBY-UHFFFAOYSA-N |
| TotalMolweight | 329.753 |
| Molweight | 329.753 |
| MonoisotopicMass | 329.008882 |
| CLogP | 3.7783 |
| CLogS | -4.866 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 235.29 |
| Relative PSA | 0.23316 |
| PolarSurfaceArea | 66.57 |
| Druglikeness | -1.0812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon |
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