Molecule ID: mol17578
SMILES: COc1ccc(C(=O)n2c(-c3ccccc3[N+](=O)[O-])nc3ccccc32)cc1
InChI: InChI=1S/C21H15N3O4/c1-28-15-12-10-14(11-13-15)21(25)23-19-9-5-3-7-17(19)22-20(23)16-6-2-4-8-18(16)24(26)27/h2-13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.71 | OCHEM | 1 » 0 |
| 4.71 | Baltruschat ChEMBL | 1 » 0 |