Molecule ID: mol4948
SMILES: c1coc(CNc2ncnc3[nH]ncc23)c1
InChI: InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-5-14-15-10(8)13-6-12-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.97 | IUPAC digitized pKa | 1 » 0 |
| 4.01 | Datawarrior | 1 » 0 |
| 4.01 | OCHEM | 1 » 0 |
| 4.01 | QSARToolbox | 1 » 0 |