Molecule ID: mol24885
SMILES: Cc1c(C(=O)O)nn(-c2ccccc2)c(=O)c1C#N
InChI: InChI=1S/C13H9N3O3/c1-8-10(7-14)12(17)16(15-11(8)13(18)19)9-5-3-2-4-6-9/h2-6H,1H3,(H,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.42 | AttenGpKa training set | 0 » -1 |