(E)-3-thiophen-3-yl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile
Formula:C13H7N2O2F3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-3-yl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-thiophen-3-yl-2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylprop-2-enenitrile |
| MolecularFormula | C13H7N2O2F3S2 |
| Smiles | N#C/C(/S(c1ncc(C(F)(F)F)cc1)(=O)=O)=C\c1cscc1 |
| InChI | InChI=1S/C13H7F3N2O2S2/c14-13(15,16)10-1-2-12(18-7-10)22(19,20)11(6-17)5-9-3-4-21-8-9/h1-5,7-8H |
| InChIK | MGMLSGJCSQDZAX-UHFFFAOYSA-N |
| TotalMolweight | 344.337 |
| Molweight | 344.337 |
| MonoisotopicMass | 343.990102 |
| CLogP | 2.1387 |
| CLogS | -3.889 |
| H Acceptors | 4 |
| TotalSurfaceArea | 232.18 |
| Relative PSA | 0.31644 |
| PolarSurfaceArea | 107.44 |
| Druglikeness | -11.643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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