Molecule ID: mol29640
SMILES: CC(C)(C)NCC(O)c1ccc(O)c(CO)n1
InChI: InChI=1S/C12H20N2O3/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14-8/h4-5,11,13,15-17H,6-7H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | AttenGpKa training set | 2 » 1 |
| 7.00 | AttenGpKa training set | 1 » 0 |
| 10.30 | AttenGpKa training set | 0 » -1 |