Molecule ID: mol5985
SMILES: Cc1ccc(N)c(N)c1
InChI: InChI=1S/C7H10N2/c1-5-2-3-6(8)7(9)4-5/h2-4H,8-9H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.98 | OCHEM | 2 » 1 |
| 4.61 | OCHEM | 1 » 0 |
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 5.00 | Datawarrior | 1 » 0 |
| 5.00 | OCHEM | 1 » 0 |