Molecule ID: mol23196
SMILES: O=C(O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=O)cc1
InChI: InChI=1S/C15H11N3O3/c19-14(20)11-6-8-12(9-7-11)18-13(16-17-15(18)21)10-4-2-1-3-5-10/h1-9H,(H,17,21)(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | AttenGpKa training set | 0 » -1 |