Molecule ID: mol1899
SMILES: C=CCc1ccc(O)c(OC)c1
InChI: InChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.97 | AttenGpKa training set | 0 » -1 |
| 10.00 | Datawarrior | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.00 | OCHEM | 0 » -1 |
| 10.15 | IUPAC digitized pKa | 0 » -1 |
| 10.17 | OCHEM | 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 |
| 10.19 | OCHEM | 0 » -1 |
| 10.19 | Hunt | 0 » -1 |
| 10.19 | OCHEM | 0 » -1 |
| 10.20 | QSARToolbox | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |