Molecule ID: mol99
SMILES: CC(C)NCC(O)COc1cccc2[nH]c3ccccc3c12
InChI: InChI=1S/C18H22N2O2/c1-12(2)19-10-13(21)11-22-17-9-5-8-16-18(17)14-6-3-4-7-15(14)20-16/h3-9,12-13,19-21H,10-11H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.52 | OCHEM | 1 » 0 |
| 9.52 | Baltruschat ChEMBL | 1 » 0 |
| 9.52 | Settimo | 1 » 0 |
| 9.52 | QSARToolbox | 1 » 0 |