(E)-3,4-bis(benzenesulfonyl)but-2-en-1-ol
Formula:C16H16O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3,4-bis(benzenesulfonyl)but-2-en-1-ol is a drug-like molecule.
| MolName | (E)-3,4-bis(benzenesulfonyl)but-2-en-1-ol |
| MolecularFormula | C16H16O5S2 |
| Smiles | OC/C=C(\CS(c1ccccc1)(=O)=O)/S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C16H16O5S2/c17-12-11-16(23(20,21)15-9-5-2-6-10-15)13-22(18,19)14-7-3-1-4-8-14/h1-11,17H,12-13H2 |
| InChIK | AIAKDUWZCKEZRU-UHFFFAOYSA-N |
| TotalMolweight | 352.43 |
| Molweight | 352.43 |
| MonoisotopicMass | 352.043915 |
| CLogP | 1.3022 |
| CLogS | -3.641 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 248.76 |
| Relative PSA | 0.28244 |
| PolarSurfaceArea | 105.27 |
| Druglikeness | -13.112 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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