Molecule ID: mol21429
SMILES: COc1ccc(C(Cc2cc([N+](=O)[O-])ccc2OC)c2c[nH]c(N)n2)cc1
InChI: InChI=1S/C19H20N4O4/c1-26-15-6-3-12(4-7-15)16(17-11-21-19(20)22-17)10-13-9-14(23(24)25)5-8-18(13)27-2/h3-9,11,16H,10H2,1-2H3,(H3,20,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | Baltruschat ChEMBL | 1 » 0 |