Molecule ID: mol17577
SMILES: O=C(c1ccc(Cl)cc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21
InChI: InChI=1S/C20H12ClN3O3/c21-14-11-9-13(10-12-14)20(25)23-18-8-4-2-6-16(18)22-19(23)15-5-1-3-7-17(15)24(26)27/h1-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.69 | OCHEM | 1 » 0 |
| 4.69 | Baltruschat ChEMBL | 1 » 0 |