Molecule ID: mol11294
SMILES: O=C(O)c1nnn(-c2ccccc2)c1C(=O)O
InChI: InChI=1S/C10H7N3O4/c14-9(15)7-8(10(16)17)13(12-11-7)6-4-2-1-3-5-6/h1-5H,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.13 | IUPAC digitized pKa | 0 » -1 |
| 2.13 | AttenGpKa training set | 0 » -1 |
| 4.93 | IUPAC digitized pKa | -1 » -2 |
| 4.93 | AttenGpKa training set | -1 » -2 |