Molecule ID: mol10655
SMILES: NNC(=O)COc1ccccc1
InChI: InChI=1S/C8H10N2O2/c9-10-8(11)6-12-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.65 | IUPAC digitized pKa | 1 » 0 |
| 2.65 | AttenGpKa training set | 1 » 0 |
| 12.23 | IUPAC digitized pKa | 0 » -1 |
| 12.23 | AttenGpKa training set | 0 » -1 |