| MolName | 4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C23H16NO5FS |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C/C(c2ccc(-c(cc3)ccc3F)o2)=O)o1)(=O)=O |
| InChI | InChI=1S/C23H16FNO5S/c24-17-5-1-15(2-6-17)22-13-14-23(30-22)20(26)11-7-18-8-12-21(29-18)16-3-9-19(10-4-16)31(25,27)28/h1-14H,(H2,25,27,28) |
| InChIK | XQDHMAMMFKEEAU-UHFFFAOYSA-N |
| TotalMolweight | 437.446 |
| Molweight | 437.446 |
| MonoisotopicMass | 437.073322 |
| CLogP | 4.0464 |
| CLogS | -6.973 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 319.62 |
| Relative PSA | 0.26628 |
| PolarSurfaceArea | 111.89 |
| Druglikeness | 3.2322 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64516 |
| 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 | 5 |
| Amides | 1 |
| StereoCon |
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1 - 4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(E)-3-[5-(4-fluorophenyl)furan-2-yl]-3-oxoprop-1-enyl]furan-2-yl]benzenesulfonamide