Molecule ID: mol6229
SMILES: CC(C)NCC(O)c1ccc(S(N)(=O)=O)cc1
InChI: InChI=1S/C11H18N2O3S/c1-8(2)13-7-11(14)9-3-5-10(6-4-9)17(12,15)16/h3-6,8,11,13-14H,7H2,1-2H3,(H2,12,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.26 | IUPAC digitized pKa | 1 » 0 |
| 10.38 | IUPAC digitized pKa | 0 » -1 |