Molecule ID: mol9723
SMILES: Cc1c[nH]c(C(=O)O)c1
InChI: InChI=1S/C6H7NO2/c1-4-2-5(6(8)9)7-3-4/h2-3,7H,1H3,(H,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.60 | OCHEM | 0 » -1 |
| 4.60 | IUPAC digitized pKa | 0 » -1 |
| 4.60 | Datawarrior | 0 » -1 |
| 4.60 | AttenGpKa training set | 0 » -1 |