Molecule ID: mol10656
SMILES: COc1ccc(C(=O)NN)cc1
InChI: InChI=1S/C8H10N2O2/c1-12-7-4-2-6(3-5-7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | IUPAC digitized pKa | 1 » 0 |
| 3.25 | AttenGpKa training set | 1 » 0 |
| 12.83 | IUPAC digitized pKa | 0 » -1 |
| 12.83 | AttenGpKa training set | 0 » -1 |