Molecule ID: mol1910
SMILES: O=C(O)Cc1ccc2ccccc2c1
InChI: InChI=1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.25 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | OCHEM | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.25 | QSARToolbox | 0 » -1 |
| 4.26 | Datawarrior | 0 » -1 |
| 4.26 | OCHEM | 0 » -1 |
| 4.26 | OCHEM | 0 » -1 |
| 4.26 | AttenGpKa training set | 0 » -1 |
| 4.26 | OCHEM | 0 » -1 |
| 4.26 | QSARToolbox | 0 » -1 |
| 4.28 | OCHEM | 0 » -1 |
| 4.30 | IUPAC digitized pKa | 0 » -1 |
| 4.30 | OCHEM | 0 » -1 |
| 4.30 | Hunt | 0 » -1 |
| 4.30 | QSARToolbox | 0 » -1 |