(NE)-N-[(4-chlorophenyl)-(trifluoromethyl)-lambda4-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
Formula:C8H4NO2ClF6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NE)-N-[(4-chlorophenyl)-(trifluoromethyl)-lambda4-sulfanylidene]-1,1,1-trifluoromethanesulfonamide is not a drug-like molecule.
| MolName | (NE)-N-[(4-chlorophenyl)-(trifluoromethyl)-lambda4-sulfanylidene]-1,1,1-trifluoromethanesulfonamide |
| MolecularFormula | C8H4NO2ClF6S2 |
| Smiles | O=S(C(F)(F)F)(/N=S(/C(F)(F)F)\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C8H6ClF6NO2S2/c9-5-1-3-6(4-2-5)19(7(10,11)12)16-20(17,18)8(13,14)15/h1-4H,19H2 |
| InChIK | ADGLVKMSEVYRES-UHFFFAOYSA-N |
| TotalMolweight | 359.698 |
| Molweight | 359.698 |
| MonoisotopicMass | 358.927614 |
| CLogP | 5.8957 |
| CLogS | -3.693 |
| H Acceptors | 3 |
| TotalSurfaceArea | 204.12 |
| Relative PSA | 0.24383 |
| PolarSurfaceArea | 74.09 |
| Druglikeness | -23.038 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Symmetricatoms | 7 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NE)-N-[(4-chlorophenyl)-(trifluoromethyl)-lambda4-sulfanylidene]-1,1,1-trifluoromethanesulfonamide | 2 - (NE)-N-[(4-chlorophenyl)-(trifluoromethyl)-lambda4-sulfanylidene]-1,1,1-trifluoromethanesulfonamide
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