Molecule ID: mol4950
SMILES: Cc1nc(NCc2ccco2)c2cn[nH]c2n1
InChI: InChI=1S/C11H11N5O/c1-7-14-10(9-6-13-16-11(9)15-7)12-5-8-3-2-4-17-8/h2-4,6H,5H2,1H3,(H2,12,13,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.61 | IUPAC digitized pKa | 1 » 0 |
| 4.65 | Datawarrior | 1 » 0 |
| 4.65 | QSARToolbox | 1 » 0 |
| 4.65 | OCHEM | 1 » 0 |