Molecule ID: mol14668
SMILES: Cc1cc(-c2ccccc2)nn2c(CN(C)C)cnc12
InChI: InChI=1S/C16H18N4/c1-12-9-15(13-7-5-4-6-8-13)18-20-14(11-19(2)3)10-17-16(12)20/h4-10H,11H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.18 | Datawarrior | 2 » 1 |
| 3.18 | QSARToolbox | 2 » 1 |
| 3.18 | OCHEM | 2 » 1 |