Molecule ID: mol3452
SMILES: CC(CO)NCCc1ccc(O)c(O)c1
InChI: InChI=1S/C11H17NO3/c1-8(7-13)12-5-4-9-2-3-10(14)11(15)6-9/h2-3,6,8,12-15H,4-5,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.57 | IUPAC digitized pKa | 1 » 0 |
| 8.72 | IUPAC digitized pKa | 1 » 0 |
| 8.87 | IUPAC digitized pKa | 1 » 0 |
| 9.87 | IUPAC digitized pKa | 0 » -1 |