Molecule ID: mol1894
SMILES: Cc1cc2ccccc2c(C(=O)O)c1C
InChI: InChI=1S/C13H12O2/c1-8-7-10-5-3-4-6-11(10)12(9(8)2)13(14)15/h3-7H,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.48 | IUPAC digitized pKa | 0 » -1 |
| 2.63 | IUPAC digitized pKa | 0 » -1 |
| 2.83 | QSARToolbox | 0 » -1 |
| 2.83 | AttenGpKa training set | 0 » -1 |
| 2.83 | IUPAC digitized pKa | 0 » -1 |
| 2.83 | QSARToolbox | 0 » -1 |
| 3.02 | IUPAC digitized pKa | 0 » -1 |
| 3.20 | IUPAC digitized pKa | 0 » -1 |
| 3.28 | Hunt | 0 » -1 |
| 3.30 | OCHEM | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.33 | QSARToolbox | 0 » -1 |
| 3.33 | QSARToolbox | 0 » -1 |
| 3.33 | Datawarrior | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.33 | OCHEM | 0 » -1 |
| 3.35 | IUPAC digitized pKa | 0 » -1 |