Molecule ID: mol3695
SMILES: CNc1c(C)cncc1C
InChI: InChI=1S/C8H12N2/c1-6-4-10-5-7(2)8(6)9-3/h4-5H,1-3H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.98 | IUPAC digitized pKa | 1 » 0 |
| 9.89 | IUPAC digitized pKa | 1 » 0 |
| 9.93 | OCHEM | 1 » 0 |
| 9.96 | IUPAC digitized pKa | 1 » 0 |