Molecule ID: mol4798
SMILES: CN(C)c1ncnc2nccnc12
InChI: InChI=1S/C8H9N5/c1-13(2)8-6-7(11-5-12-8)10-4-3-9-6/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | IUPAC digitized pKa | 1 » 0 |
| 4.33 | QSARToolbox | 1 » 0 |
| 4.33 | AttenGpKa training set | 1 » 0 |