Molecule ID: mol16704
SMILES: COCCOc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1
InChI: InChI=1S/C18H16ClNO4/c1-23-6-7-24-12-4-2-11(3-5-12)13-8-14-15(18(21)22)10-20-17(14)9-16(13)19/h2-5,8-10,20H,6-7H2,1H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.00 | Baltruschat ChEMBL | 0 » -1 |