Molecule ID: mol4933
SMILES: Cn1ncc2c(NCc3ccccc3)ncnc21
InChI: InChI=1S/C13H13N5/c1-18-13-11(8-17-18)12(15-9-16-13)14-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3,(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | Datawarrior | 1 » 0 |
| 3.66 | QSARToolbox | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |