Molecule ID: mol22664
SMILES: O=C(O)CC(CCc1ccccc1)(C(=O)O)c1ccccc1
InChI: InChI=1S/C18H18O4/c19-16(20)13-18(17(21)22,15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,20)(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.74 | AttenGpKa training set | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 3.74 | QSARToolbox | 0 » -1 |
| 4.00 | OCHEM | 0 » -1 |
| 6.52 | QSARToolbox | -1 » -2 |
| 6.52 | QSARToolbox | -1 » -2 |
| 6.52 | AttenGpKa training set | -1 » -2 |