| MolName | 4-[5-[(Z)-2-cyano-2-(2,4-dichlorophenyl)ethenyl]furan-2-yl]benzenesulfonamide |
| MolecularFormula | C19H12N2O3Cl2S |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C(/c(ccc(Cl)c2)c2Cl)\C#N)o1)(=O)=O |
| InChI | InChI=1S/C19H12Cl2N2O3S/c20-14-3-7-17(18(21)10-14)13(11-22)9-15-4-8-19(26-15)12-1-5-16(6-2-12)27(23,24)25/h1-10H,(H2,23,24,25) |
| InChIK | CWHICALJYPWZHV-UHFFFAOYSA-N |
| TotalMolweight | 419.287 |
| Molweight | 419.287 |
| MonoisotopicMass | 417.994567 |
| CLogP | 4.2475 |
| CLogS | -6.46 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 296.83 |
| Relative PSA | 0.24095 |
| PolarSurfaceArea | 105.47 |
| Druglikeness | 0.18555 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 4-[5-[(Z)-2-cyano-2-(2,4-dichlorophenyl)ethenyl]furan-2-yl]benzenesulfonamide | 2 - 4-[5-[(Z)-2-cyano-2-(2,4-dichlorophenyl)ethenyl]furan-2-yl]benzenesulfonamide