| MolName | (5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H5NO3I2S |
| Smiles | Oc(c(/C=C(\C(N1)=O)/SC1=O)cc(I)c1)c1I |
| InChI | InChI=1S/C10H5I2NO3S/c11-5-1-4(8(14)6(12)3-5)2-7-9(15)13-10(16)17-7/h1-3,14H,(H,13,15,16) |
| InChIK | KLPMKZUZAWSQTB-UHFFFAOYSA-N |
| TotalMolweight | 473.02 |
| Molweight | 473.02 |
| MonoisotopicMass | 472.80796 |
| CLogP | 2.0179 |
| CLogS | -4.885 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 207.83 |
| Relative PSA | 0.32782 |
| PolarSurfaceArea | 91.7 |
| Druglikeness | 3.5074 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[(2-hydroxy-3,5-diiodophenyl)methylidene]-1,3-thiazolidine-2,4-dione