(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Formula:C10H7NO4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2,4-dihydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione |
| MolecularFormula | C10H7NO4S |
| Smiles | Oc1cc(O)c(/C=C(\C(N2)=O)/SC2=O)cc1 |
| InChI | InChI=1S/C10H7NO4S/c12-6-2-1-5(7(13)4-6)3-8-9(14)11-10(15)16-8/h1-4,12-13H,(H,11,14,15) |
| InChIK | CPVBTHMWQGHRIR-UHFFFAOYSA-N |
| TotalMolweight | 237.235 |
| Molweight | 237.235 |
| MonoisotopicMass | 237.009579 |
| CLogP | 0.798 |
| CLogS | -2.557 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 161.62 |
| Relative PSA | 0.5026 |
| PolarSurfaceArea | 111.93 |
| Druglikeness | 3.0173 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! methylene-thiazolidine-2,4-dione |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| StereoCon |
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