{5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
{5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 1207-0022 |
| Compound Name: | {5-[(2-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 340.33 |
| Molecular Formula: | C12 H8 N2 O6 S2 |
| Smiles: | C(C(O)=O)N1C(/C(=C\c2cc(ccc2O)[N+]([O-])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0703 |
| logD: | -2.0486 |
| logSw: | -2.2451 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.027 |
| InChI Key: | IQMOOQROQJKYOI-UHFFFAOYSA-N |