Molecule ID: mol2019
SMILES: COc1cc2ccccc2cc1C(=O)O
InChI: InChI=1S/C12H10O3/c1-15-11-7-9-5-3-2-4-8(9)6-10(11)12(13)14/h2-7H,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.80 | QSARToolbox | 0 » -1 |
| 3.80 | IUPAC digitized pKa | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | Hunt | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.82 | OCHEM | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | QSARToolbox | 0 » -1 |
| 3.82 | Datawarrior | 0 » -1 |
| 3.82 | AttenGpKa training set | 0 » -1 |