Molecule ID: mol7141
SMILES: CCNc1ncnc(O)c1NCC
InChI: InChI=1S/C8H14N4O/c1-3-9-6-7(10-4-2)11-5-12-8(6)13/h5,9H,3-4H2,1-2H3,(H2,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.83 | IUPAC digitized pKa | 2 » 1 |
| 10.05 | IUPAC digitized pKa | 0 » -1 |