[(1E,3E)-2,4-bis(benzenesulfonyl)buta-1,3-dienyl]benzene
Formula:C22H18O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(1E,3E)-2,4-bis(benzenesulfonyl)buta-1,3-dienyl]benzene is a drug-like molecule.
| MolName | [(1E,3E)-2,4-bis(benzenesulfonyl)buta-1,3-dienyl]benzene |
| MolecularFormula | C22H18O4S2 |
| Smiles | O=S(/C=C/C(/S(c1ccccc1)(=O)=O)=C\c1ccccc1)(c1ccccc1)=O |
| InChI | InChI=1S/C22H18O4S2/c23-27(24,20-12-6-2-7-13-20)17-16-22(18-19-10-4-1-5-11-19)28(25,26)21-14-8-3-9-15-21/h1-18H |
| InChIK | ORYDCMXESDNDEZ-UHFFFAOYSA-N |
| TotalMolweight | 410.513 |
| Molweight | 410.513 |
| MonoisotopicMass | 410.06465 |
| CLogP | 3.5082 |
| CLogS | -5.592 |
| H Acceptors | 4 |
| TotalSurfaceArea | 301.15 |
| Relative PSA | 0.18981 |
| PolarSurfaceArea | 85.04 |
| Druglikeness | -11.398 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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