Molecule ID: mol4005
SMILES: NC1=NN(c2ccccc2)C(=O)C1
InChI: InChI=1S/C9H9N3O/c10-8-6-9(13)12(11-8)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.20 | IUPAC digitized pKa | 2 » 1 |
| 1.20 | AttenGpKa training set | 2 » 1 |