(E)-2-(benzenesulfonyl)-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile
Formula:C15H9NO2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile |
| MolecularFormula | C15H9NO2ClFS |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cc1)cc(Cl)c1F |
| InChI | InChI=1S/C15H9ClFNO2S/c16-14-9-11(6-7-15(14)17)8-13(10-18)21(19,20)12-4-2-1-3-5-12/h1-9H |
| InChIK | JZGAOIAEWWJUCM-UHFFFAOYSA-N |
| TotalMolweight | 321.758 |
| Molweight | 321.758 |
| MonoisotopicMass | 321.002654 |
| CLogP | 3.1163 |
| CLogS | -5.293 |
| H Acceptors | 3 |
| TotalSurfaceArea | 229.79 |
| Relative PSA | 0.18338 |
| PolarSurfaceArea | 66.31 |
| Druglikeness | -15.178 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| StereoCon |
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