Molecule ID: mol10651
SMILES: Cc1ccc(C(=O)NN)cc1
InChI: InChI=1S/C8H10N2O/c1-6-2-4-7(5-3-6)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | IUPAC digitized pKa | 1 » 0 |
| 3.15 | AttenGpKa training set | 1 » 0 |
| 12.75 | IUPAC digitized pKa | 0 » -1 |
| 12.75 | AttenGpKa training set | 0 » -1 |