Molecule ID: mol10650
SMILES: NNC(=O)Cc1ccccc1
InChI: InChI=1S/C8H10N2O/c9-10-8(11)6-7-4-2-1-3-5-7/h1-5H,6,9H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | IUPAC digitized pKa | 1 » 0 |
| 3.09 | AttenGpKa training set | 1 » 0 |
| 13.17 | IUPAC digitized pKa | 0 » -1 |
| 13.17 | AttenGpKa training set | 0 » -1 |