Molecule ID: mol3414
SMILES: CCC(N)C(O)c1ccc(O)c(O)c1
InChI: InChI=1S/C10H15NO3/c1-2-7(11)10(14)6-3-4-8(12)9(13)5-6/h3-5,7,10,12-14H,2,11H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.58 | QSARToolbox | 1 » 0 |
| 8.42 | IUPAC digitized pKa | 1 » 0 |
| 8.42 | AttenGpKa training set | 1 » 0 |
| 8.42 | QSARToolbox | 1 » 0 |