(E)-2-(4-chlorophenyl)sulfonyl-3-(3-phenoxythiophen-2-yl)prop-2-enenitrile
Formula:C19H12NO3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-(3-phenoxythiophen-2-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-(3-phenoxythiophen-2-yl)prop-2-enenitrile |
| MolecularFormula | C19H12NO3ClS2 |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c(scc1)c1Oc1ccccc1 |
| InChI | InChI=1S/C19H12ClNO3S2/c20-14-6-8-16(9-7-14)26(22,23)17(13-21)12-19-18(10-11-25-19)24-15-4-2-1-3-5-15/h1-12H |
| InChIK | QGRLTELAUYRIIC-UHFFFAOYSA-N |
| TotalMolweight | 401.893 |
| Molweight | 401.893 |
| MonoisotopicMass | 400.994711 |
| CLogP | 4.2777 |
| CLogS | -7.286 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.14 |
| Relative PSA | 0.25074 |
| PolarSurfaceArea | 103.78 |
| Druglikeness | -2.6181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| StereoCon |
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