Molecule ID: mol8143
SMILES: OCCN1CC=Nc2c(O)nc(O)nc21
InChI: InChI=1S/C8H10N4O3/c13-4-3-12-2-1-9-5-6(12)10-8(15)11-7(5)14/h1,13H,2-4H2,(H2,10,11,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.50 | IUPAC digitized pKa | 2 » 1 |
| 9.70 | IUPAC digitized pKa | -1 » -2 |