Molecule ID: mol7469
SMILES: Oc1ccnc(N2CCCCC2)n1
InChI: InChI=1S/C9H13N3O/c13-8-4-5-10-9(11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.57 | IUPAC digitized pKa | 1 » 0 |
| 9.49 | IUPAC digitized pKa | 0 » -1 |