Molecule ID: mol3453
SMILES: CC(C)NC(C(C)C)C(O)c1ccc(O)c(O)c1
InChI: InChI=1S/C14H23NO3/c1-8(2)13(15-9(3)4)14(18)10-5-6-11(16)12(17)7-10/h5-9,13-18H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | IUPAC digitized pKa | 1 » 0 |
| 8.85 | QSARToolbox | 1 » 0 |
| 8.88 | OCHEM | 1 » 0 |
| 8.91 | IUPAC digitized pKa | 1 » 0 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |