Molecule ID: mol17579
SMILES: O=C(c1ccc([N+](=O)[O-])cc1)n1c(-c2ccccc2[N+](=O)[O-])nc2ccccc21
InChI: InChI=1S/C20H12N4O5/c25-20(13-9-11-14(12-10-13)23(26)27)22-18-8-4-2-6-16(18)21-19(22)15-5-1-3-7-17(15)24(28)29/h1-12H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.79 | OCHEM | 1 » 0 |
| 4.79 | Baltruschat ChEMBL | 1 » 0 |