Molecule ID: mol5246
SMILES: N[C@@H](Cc1ccccn1)C(=O)O
InChI: InChI=1S/C8H10N2O2/c9-7(8(11)12)5-6-3-1-2-4-10-6/h1-4,7H,5,9H2,(H,11,12)/t7-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.37 | IUPAC digitized pKa | 2 » 1 |
| 4.02 | IUPAC digitized pKa | 1 » 0 |
| 9.22 | IUPAC digitized pKa | 0 » -1 |