Molecule ID: mol10494
SMILES: N#Cc1ccc(C(=O)NO)cc1
InChI: InChI=1S/C8H6N2O2/c9-5-6-1-3-7(4-2-6)8(11)10-12/h1-4,12H,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.16 | IUPAC digitized pKa | 0 » -1 |
| 8.16 | IUPAC digitized pKa | 0 » -1 |
| 8.16 | AttenGpKa training set | 0 » -1 |
| 8.26 | IUPAC digitized pKa | 0 » -1 |