Molecule ID: mol34119
SMILES: Cc1cccnc1NC(P(=O)(O)O)P(=O)(O)O
InChI: InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.00 | QSARToolbox | 1 » 0 |
| 1.00 | QSARToolbox | 1 » 0 |
| 5.30 | QSARToolbox | -1 » -2 |