Molecule ID: mol8444
SMILES: N[C@@H](Cc1cc[nH]n1)C(=O)O
InChI: InChI=1S/C6H9N3O2/c7-5(6(10)11)3-4-1-2-8-9-4/h1-2,5H,3,7H2,(H,8,9)(H,10,11)/t5-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | IUPAC digitized pKa | 2 » 1 |
| 2.10 | IUPAC digitized pKa | 2 » 1 |
| 8.95 | IUPAC digitized pKa | 0 » -1 |