| MolName | 4-[5-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C23H16NO5ClS |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C/C(c2ccc(-c(cccc3)c3Cl)o2)=O)o1)(=O)=O |
| InChI | InChI=1S/C23H16ClNO5S/c24-19-4-2-1-3-18(19)22-13-14-23(30-22)20(26)11-7-16-8-12-21(29-16)15-5-9-17(10-6-15)31(25,27)28/h1-14H,(H2,25,27,28) |
| InChIK | NAOCXQBIXVQHGN-UHFFFAOYSA-N |
| TotalMolweight | 453.901 |
| Molweight | 453.901 |
| MonoisotopicMass | 453.043771 |
| CLogP | 4.5516 |
| CLogS | -7.395 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 328.69 |
| Relative PSA | 0.25894 |
| PolarSurfaceArea | 111.89 |
| Druglikeness | 4.6793 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(2-chlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide