Molecule ID: mol4949
SMILES: Cn1ncc2c(NCc3ccco3)ncnc21
InChI: InChI=1S/C11H11N5O/c1-16-11-9(6-15-16)10(13-7-14-11)12-5-8-3-2-4-17-8/h2-4,6-7H,5H2,1H3,(H,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | IUPAC digitized pKa | 1 » 0 |
| 3.80 | QSARToolbox | 1 » 0 |
| 3.80 | Datawarrior | 1 » 0 |
| 3.80 | OCHEM | 1 » 0 |