Molecule ID: mol12712
SMILES: Cn1cncc1CC(N)C(=O)O
InChI: InChI=1S/C7H11N3O2/c1-10-4-9-3-5(10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.84 | Datawarrior | 2 » 1 |
| 1.84 | OCHEM | 2 » 1 |
| 1.92 | QSARToolbox | 2 » 1 |
| 2.00 | QSARToolbox | 2 » 1 |
| 6.53 | Datawarrior | 1 » 0 |
| 8.72 | Datawarrior | 0 » -1 |
| 8.72 | OCHEM | 0 » -1 |