Molecule ID: mol16292
SMILES: CC(C)(C)NCC(O)c1ccc(O)c(CO)c1
InChI: InChI=1S/C13H21NO3/c1-13(2,3)14-7-12(17)9-4-5-11(16)10(6-9)8-15/h4-6,12,14-17H,7-8H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.07 | AttenGpKa training set | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 1 » 0 |
| 9.30 | Baltruschat ChEMBL | 1 » 0 |
| 10.37 | AttenGpKa training set | 0 » -1 |