Molecule ID: mol4940
SMILES: CCN(CC)c1ncnc2[nH]ncc12
InChI: InChI=1S/C9H13N5/c1-3-14(4-2)9-7-5-12-13-8(7)10-6-11-9/h5-6H,3-4H2,1-2H3,(H,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.67 | IUPAC digitized pKa | 1 » 0 |
| 4.71 | Datawarrior | 1 » 0 |
| 4.71 | OCHEM | 1 » 0 |
| 4.71 | QSARToolbox | 1 » 0 |