Molecule ID: mol13901
SMILES: CC(C)(C(=O)O)c1c[nH]c(CO)n1
InChI: InChI=1S/C8H12N2O3/c1-8(2,7(12)13)5-3-9-6(4-11)10-5/h3,11H,4H2,1-2H3,(H,9,10)(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.38 | Datawarrior | 0 » -1 |
| 7.38 | OCHEM | 0 » -1 |
| 7.38 | QSARToolbox | 0 » -1 |