Molecule ID: mol4918
SMILES: Cc1n[nH]c2c(NCc3ccccc3)ncnc12
InChI: InChI=1S/C13H13N5/c1-9-11-12(18-17-9)13(16-8-15-11)14-7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,17,18)(H,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.91 | IUPAC digitized pKa | 1 » 0 |
| 4.95 | OCHEM | 1 » 0 |
| 4.95 | QSARToolbox | 1 » 0 |
| 4.95 | Datawarrior | 1 » 0 |