Molecule ID: mol31661
SMILES: Cc1cc2c(s1)=Nc1ccccc1NC=2N1CCN(C)CC1
InChI: InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,18H,7-10H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.44 | OCHEM | 2 » 1 |
| 7.80 | OCHEM | 1 » 0 |