Molecule ID: mol1513
SMILES: CC(C)NC[C@H](O)c1cc(O)cc(O)c1
InChI: InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.90 | Jensen | -1 » -2 |
| 9.92 | OCHEM | -1 » -2 |
| 9.92 | Hunt | -1 » -2 |