Molecule ID: mol1891
SMILES: O=C(O)Cc1cccc2ccccc12
InChI: InChI=1S/C12H10O2/c13-12(14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.22 | QSARToolbox | 0 » -1 |
| 4.22 | IUPAC digitized pKa | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | IUPAC digitized pKa | 0 » -1 |
| 4.23 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | Hunt | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | OCHEM | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.23 | QSARToolbox | 0 » -1 |
| 4.24 | QSARToolbox | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | Datawarrior | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.24 | AttenGpKa training set | 0 » -1 |
| 4.55 | QSARToolbox | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |
| 5.25 | QSARToolbox | 0 » -1 |
| 5.65 | QSARToolbox | 0 » -1 |
| 6.44 | QSARToolbox | 0 » -1 |