Molecule ID: mol20257
SMILES: O=C(O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12
InChI: InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,21H,(H,23,24)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.11 | AttenGpKa training set | 0 » -1 |
| 4.31 | AttenGpKa training set | 0 » -1 |
| 5.20 | OCHEM | 0 » -1 |
| 5.20 | Baltruschat ChEMBL | 0 » -1 |
| 6.39 | AttenGpKa training set | -1 » -2 |