(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfonylprop-2-enenitrile
Formula:C15H8N2O2ClF3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-[2-chloro-4-(trifluoromethyl)phenyl]-2-pyridin-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C15H8N2O2ClF3S |
| Smiles | N#C/C(/S(c1ncccc1)(=O)=O)=C\c(ccc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C15H8ClF3N2O2S/c16-13-8-11(15(17,18)19)5-4-10(13)7-12(9-20)24(22,23)14-3-1-2-6-21-14/h1-8H |
| InChIK | BVFDZHZHYDPGDE-UHFFFAOYSA-N |
| TotalMolweight | 372.754 |
| Molweight | 372.754 |
| MonoisotopicMass | 371.994709 |
| CLogP | 2.9603 |
| CLogS | -4.725 |
| H Acceptors | 4 |
| TotalSurfaceArea | 251.66 |
| Relative PSA | 0.21104 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | -10.964 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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