| MolName | 4-[5-[(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C23H15NO5Cl2S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C/C(c2ccc(-c(cc3)cc(Cl)c3Cl)o2)=O)o1)(=O)=O |
| InChI | InChI=1S/C23H15Cl2NO5S/c24-18-8-3-15(13-19(18)25)22-11-12-23(31-22)20(27)9-4-16-5-10-21(30-16)14-1-6-17(7-2-14)32(26,28)29/h1-13H,(H2,26,28,29) |
| InChIK | OQARKBDOZYXLLZ-UHFFFAOYSA-N |
| TotalMolweight | 488.346 |
| Molweight | 488.346 |
| MonoisotopicMass | 487.004798 |
| CLogP | 5.1576 |
| CLogS | -8.131 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 344.11 |
| Relative PSA | 0.24733 |
| PolarSurfaceArea | 111.89 |
| Druglikeness | 4.5417 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 4-[5-[(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide