Molecule ID: mol12597
SMILES: NC(Cc1cccnc1)C(=O)O
InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)4-6-2-1-3-10-5-6/h1-3,5,7H,4,9H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.69 | Datawarrior | 2 » 1 |
| 1.69 | OCHEM | 2 » 1 |
| 9.10 | QSARToolbox | 0 » -1 |
| 9.26 | Datawarrior | 0 » -1 |
| 9.26 | OCHEM | 0 » -1 |