Molecule ID: mol3932
SMILES: Oc1ccccc1C1=NCCN1
InChI: InChI=1S/C9H10N2O/c12-8-4-2-1-3-7(8)9-10-5-6-11-9/h1-4,12H,5-6H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.63 | IUPAC digitized pKa | 1 » 0 |
| 6.63 | Datawarrior | 1 » 0 |
| 6.63 | OCHEM | 1 » 0 |
| 12.58 | IUPAC digitized pKa | 0 » -1 |
| 12.58 | Datawarrior | 0 » -1 |
| 12.58 | OCHEM | 0 » -1 |