Molecule ID: mol11329
SMILES: Cc1c(C(=O)O)nnn1-c1ccccc1
InChI: InChI=1S/C10H9N3O2/c1-7-9(10(14)15)11-12-13(7)8-5-3-2-4-6-8/h2-6H,1H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.73 | IUPAC digitized pKa | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | OCHEM | 0 » -1 |
| 3.73 | AttenGpKa training set | 0 » -1 |