Molecule ID: mol10435
SMILES: COc1ccc(O)c(C)c1
InChI: InChI=1S/C8H10O2/c1-6-5-7(10-2)3-4-8(6)9/h3-5,9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.12 | IUPAC digitized pKa | 0 » -1 |
| 10.16 | Datawarrior | 0 » -1 |
| 10.16 | OCHEM | 0 » -1 |
| 10.21 | IUPAC digitized pKa | 0 » -1 |
| 10.21 | IUPAC digitized pKa | 0 » -1 |
| 10.21 | OCHEM | 0 » -1 |
| 10.21 | AttenGpKa training set | 0 » -1 |
| 10.31 | IUPAC digitized pKa | 0 » -1 |