Molecule ID: mol4797
SMILES: CN(C)c1ncc2nccnc2n1
InChI: InChI=1S/C8H9N5/c1-13(2)8-11-5-6-7(12-8)10-4-3-9-6/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | IUPAC digitized pKa | 1 » 0 |
| 3.03 | QSARToolbox | 1 » 0 |
| 3.03 | AttenGpKa training set | 1 » 0 |