Molecule ID: mol11324
SMILES: c1coc(CNc2ncnc3nc[nH]c23)c1
InChI: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 10.00 | IUPAC digitized pKa | 0 » -1 |
| 10.00 | Datawarrior | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |