Molecule ID: mol1367
SMILES: Cc1cc(C)cc(O)c1
InChI: InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.04 | IUPAC digitized pKa | 0 » -1 |
| 10.13 | Datawarrior | 0 » -1 |
| 10.13 | OCHEM | 0 » -1 |
| 10.14 | IUPAC digitized pKa | 0 » -1 |
| 10.15 | OCHEM | 0 » -1 |
| 10.15 | OCHEM | 0 » -1 |
| 10.15 | Hunt | 0 » -1 |
| 10.15 | OCHEM | 0 » -1 |
| 10.15 | AttenGpKa training set | 0 » -1 |
| 10.19 | IUPAC digitized pKa | 0 » -1 |
| 10.19 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | QSARToolbox | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | IUPAC digitized pKa | 0 » -1 |
| 10.23 | IUPAC digitized pKa | 0 » -1 |
| 10.27 | IUPAC digitized pKa | 0 » -1 |
| 10.34 | IUPAC digitized pKa | 0 » -1 |
| 10.42 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | IUPAC digitized pKa | 0 » -1 |