Molecule ID: mol5394
SMILES: CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O
InChI: InChI=1S/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,14)/t7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.05 | AttenGpKa training set | 0 » -1 |
| 7.08 | IUPAC digitized pKa | 0 » -1 |