Molecule ID: mol11076
SMILES: CN(C)c1ccc(C(=O)NN)cc1
InChI: InChI=1S/C9H13N3O/c1-12(2)8-5-3-7(4-6-8)9(13)11-10/h3-6H,10H2,1-2H3,(H,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.02 | AttenGpKa training set | 2 » 1 |
| 3.23 | AttenGpKa training set | 1 » 0 |
| 3.34 | AttenGpKa training set | 1 » 0 |
| 13.03 | IUPAC digitized pKa | 0 » -1 |
| 13.05 | AttenGpKa training set | 0 » -1 |