Molecule ID: mol8445
SMILES: N[C@@H](Cc1c[nH]nn1)C(=O)O
InChI: InChI=1S/C5H8N4O2/c6-4(5(10)11)1-3-2-7-9-8-3/h2,4H,1,6H2,(H,10,11)(H,7,8,9)/t4-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.70 | IUPAC digitized pKa | 2 » 1 |
| 1.95 | IUPAC digitized pKa | 2 » 1 |
| 8.55 | IUPAC digitized pKa | 0 » -1 |