| MolName | 2,2,2-trifluoro-N-[(4R,6Z)-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide |
| MolecularFormula | C9H7N2O2F3S |
| Smiles | O/N=C(/C[C@H]1NC(C(F)(F)F)=O)\c2c1ccs2 |
| InChI | InChI=1S/C9H7F3N2O2S/c10-9(11,12)8(15)13-5-3-6(14-16)7-4(5)1-2-17-7/h1-2,5,16H,3H2,(H,13,15)/t5-/m0/s1 |
| InChIK | CVVHQSWBHHBOPT-YFKPBYRVSA-N |
| TotalMolweight | 264.227 |
| Molweight | 264.227 |
| MonoisotopicMass | 264.018032 |
| CLogP | 2.1803 |
| CLogS | -3.47 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 169.95 |
| Relative PSA | 0.40877 |
| PolarSurfaceArea | 89.93 |
| Druglikeness | -23.845 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | this enantiomer |
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1 - 2,2,2-trifluoro-N-[(4R,6Z)-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide | 2 - 2,2,2-trifluoro-N-[(4R,6Z)-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]acetamide