Molecule ID: mol5130
SMILES: CCN(CC)C(C)CN1c2ccccc2Sc2ccccc21
InChI: InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.57 | IUPAC digitized pKa | 1 » 0 |
| 9.60 | AttenGpKa training set | 1 » 0 |