Molecule ID: mol19543
SMILES: COc1ccc2cc3[n+](cc2c1O)CCc1cc2c(cc1-3)OCO2
InChI: InChI=1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3/p+1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | OCHEM | 1 » 0 |
| 5.00 | Baltruschat ChEMBL | 1 » 0 |