Molecule ID: mol20535
SMILES: Nc1ccc(C(=O)O)c(N)c1
InChI: InChI=1S/C7H8N2O2/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,8-9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.81 | OCHEM | 0 » -1 |
| 5.81 | Baltruschat ChEMBL | 0 » -1 |
| 5.81 | AttenGpKa training set | 0 » -1 |