Molecule ID: mol11860
SMILES: Nc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChI: InChI=1S/C13H11N3O3/c14-10-3-5-11(6-4-10)15-13(17)9-1-7-12(8-2-9)16(18)19/h1-8H,14H2,(H,15,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | IUPAC digitized pKa | 1 » 0 |
| 4.48 | AttenGpKa training set | 1 » 0 |