Molecule ID: mol11972
SMILES: NNC(=O)C(c1ccccc1)c1ccccc1
InChI: InChI=1S/C14H14N2O/c15-16-14(17)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,15H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.98 | IUPAC digitized pKa | 1 » 0 |
| 2.98 | AttenGpKa training set | 1 » 0 |
| 13.00 | IUPAC digitized pKa | 0 » -1 |
| 13.00 | AttenGpKa training set | 0 » -1 |