(E)-3-[2-(4-chlorophenyl)sulfanylthiophen-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile
Formula:C19H11NO2Cl2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[2-(4-chlorophenyl)sulfanylthiophen-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-3-[2-(4-chlorophenyl)sulfanylthiophen-3-yl]-2-(4-chlorophenyl)sulfonylprop-2-enenitrile |
| MolecularFormula | C19H11NO2Cl2S3 |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c1c(Sc(cc2)ccc2Cl)scc1 |
| InChI | InChI=1S/C19H11Cl2NO2S3/c20-14-1-5-16(6-2-14)26-19-13(9-10-25-19)11-18(12-22)27(23,24)17-7-3-15(21)4-8-17/h1-11H |
| InChIK | DVVKEFCCYPULIJ-UHFFFAOYSA-N |
| TotalMolweight | 452.405 |
| Molweight | 452.405 |
| MonoisotopicMass | 450.932893 |
| CLogP | 5.4317 |
| CLogS | -7.418 |
| H Acceptors | 3 |
| TotalSurfaceArea | 312.05 |
| Relative PSA | 0.25634 |
| PolarSurfaceArea | 119.85 |
| Druglikeness | -3.3755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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