Molecule ID: mol4919
SMILES: Cc1n[nH]c2c(NCc3ccco3)ncnc12
InChI: InChI=1S/C11H11N5O/c1-7-9-10(16-15-7)11(14-6-13-9)12-5-8-3-2-4-17-8/h2-4,6H,5H2,1H3,(H,15,16)(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | IUPAC digitized pKa | 1 » 0 |
| 4.84 | Datawarrior | 1 » 0 |
| 4.84 | QSARToolbox | 1 » 0 |
| 4.84 | OCHEM | 1 » 0 |