Molecule ID: mol24771
SMILES: O=c1[nH][nH]c(=O)c2ccccc12
InChI: InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)8(12)10-9-7/h1-4H,(H,9,11)(H,10,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.68 | QSARToolbox | 0 » -1 |
| 7.00 | AttenGpKa training set | 0 » -1 |