Molecule ID: mol17576
SMILES: O=C(c1ccccc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21
InChI: InChI=1S/C20H13N3O3/c24-20(14-8-2-1-3-9-14)22-18-13-7-5-11-16(18)21-19(22)15-10-4-6-12-17(15)23(25)26/h1-13H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.90 | OCHEM | 1 » 0 |
| 4.90 | Baltruschat ChEMBL | 1 » 0 |