Molecule ID: mol8223
SMILES: Cn1c(O)nc2c(c1=O)N=CCN2CCO
InChI: InChI=1S/C9H12N4O3/c1-12-8(15)6-7(11-9(12)16)13(4-5-14)3-2-10-6/h2,14H,3-5H2,1H3,(H,11,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.40 | IUPAC digitized pKa | 2 » 1 |
| 10.35 | IUPAC digitized pKa | -1 » -2 |