Molecule ID: mol12599
SMILES: NC(CC(=O)O)c1ccccn1
InChI: InChI=1S/C8H10N2O2/c9-6(5-8(11)12)7-3-1-2-4-10-7/h1-4,6H,5,9H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.30 | Datawarrior | 2 » 1 |
| 1.30 | OCHEM | 2 » 1 |
| 2.94 | Datawarrior | 2 » 1 |
| 9.22 | Datawarrior | 0 » -1 |
| 9.22 | QSARToolbox | 0 » -1 |
| 9.22 | OCHEM | 0 » -1 |