Molecule ID: mol4930
SMILES: c1ccc(Nc2ncnc3[nH]ncc23)cc1
InChI: InChI=1S/C11H9N5/c1-2-4-8(5-3-1)15-10-9-6-14-16-11(9)13-7-12-10/h1-7H,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.88 | IUPAC digitized pKa | 1 » 0 |
| 3.92 | Datawarrior | 1 » 0 |
| 3.92 | QSARToolbox | 1 » 0 |
| 3.92 | OCHEM | 1 » 0 |