Molecule ID: mol25501
SMILES: Cc1c(N)c(O)[n+](-c2ccccc2)n1C
InChI: InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.45 | AttenGpKa training set | 2 » 1 |
| 4.41 | AttenGpKa training set | 1 » 0 |