5-[(benzenesulfinyl)methyl]furan-2-carboxylic acid
Chemical Structure Depiction of
5-[(benzenesulfinyl)methyl]furan-2-carboxylic acid
5-[(benzenesulfinyl)methyl]furan-2-carboxylic acid
Compound characteristics
| Compound ID: | K780-0432 |
| Compound Name: | 5-[(benzenesulfinyl)methyl]furan-2-carboxylic acid |
| Molecular Weight: | 250.27 |
| Molecular Formula: | C12 H10 O4 S |
| Smiles: | C(c1ccc(C(O)=O)o1)S(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6713 |
| logD: | -2.3126 |
| logSw: | -2.0658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.629 |
| InChI Key: | OQTTUVNKTYCDGY-UHFFFAOYSA-N |