(E)-2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)prop-2-enenitrile
Formula:C15H8NO2ClF2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-(2,4-difluorophenyl)prop-2-enenitrile |
| MolecularFormula | C15H8NO2ClF2S |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c(ccc(F)c1)c1F |
| InChI | InChI=1S/C15H8ClF2NO2S/c16-11-2-5-13(6-3-11)22(20,21)14(9-19)7-10-1-4-12(17)8-15(10)18/h1-8H |
| InChIK | BKPXSFVDTIOZEU-UHFFFAOYSA-N |
| TotalMolweight | 339.749 |
| Molweight | 339.749 |
| MonoisotopicMass | 338.993232 |
| CLogP | 3.2171 |
| CLogS | -5.607 |
| H Acceptors | 3 |
| TotalSurfaceArea | 236.14 |
| Relative PSA | 0.17845 |
| PolarSurfaceArea | 66.31 |
| Druglikeness | -5.1645 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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