Molecule ID: mol17409
SMILES: NC(CCCCCS(=O)(=O)c1ccccc1O)C(=O)O
InChI: InChI=1S/C13H19NO5S/c14-10(13(16)17)6-2-1-5-9-20(18,19)12-8-4-3-7-11(12)15/h3-4,7-8,10,15H,1-2,5-6,9,14H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | OCHEM | 0 » -1 |
| 7.38 | Baltruschat ChEMBL | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |