Molecule ID: mol12091
SMILES: CN(C)Cc1c(O)c(O)c(CN(C)C)c2ccccc12
InChI: InChI=1S/C16H22N2O2/c1-17(2)9-13-11-7-5-6-8-12(11)14(10-18(3)4)16(20)15(13)19/h5-8,19-20H,9-10H2,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.07 | IUPAC digitized pKa | 2 » 1 |
| 9.70 | IUPAC digitized pKa | 1 » 0 |
| 12.18 | QSARToolbox | 0 » -1 |