(E)-3-thiophen-2-yl-2-thiophen-2-ylsulfonylprop-2-enenitrile
Formula:C11H7NO2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-thiophen-2-yl-2-thiophen-2-ylsulfonylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-thiophen-2-yl-2-thiophen-2-ylsulfonylprop-2-enenitrile |
| MolecularFormula | C11H7NO2S3 |
| Smiles | N#C/C(/S(c1cccs1)(=O)=O)=C\c1cccs1 |
| InChI | InChI=1S/C11H7NO2S3/c12-8-10(7-9-3-1-5-15-9)17(13,14)11-4-2-6-16-11/h1-7H |
| InChIK | JOHZZUBPWUAGTJ-UHFFFAOYSA-N |
| TotalMolweight | 281.38 |
| Molweight | 281.38 |
| MonoisotopicMass | 280.963889 |
| CLogP | 2.2652 |
| CLogS | -4.17 |
| H Acceptors | 3 |
| TotalSurfaceArea | 199.9 |
| Relative PSA | 0.41451 |
| PolarSurfaceArea | 122.79 |
| Druglikeness | -3.4643 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| Symmetricatoms | 1 |
| StereoCon |
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