Molecule ID: mol29885
SMILES: COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NCCO)c1OC
InChI: InChI=1S/C13H17NO7S/c1-20-10-7-9(3-4-12(16)17)8-11(13(10)21-2)22(18,19)14-5-6-15/h3-4,7-8,14-15H,5-6H2,1-2H3,(H,16,17)/b4-3+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.77 | AttenGpKa training set | 0 » -1 |