Molecule ID: mol15424
SMILES: CC1(C)C=CC(C)(c2cc3ccc(=O)oc3cc2O)CC1
InChI: InChI=1S/C18H20O3/c1-17(2)6-8-18(3,9-7-17)13-10-12-4-5-16(20)21-15(12)11-14(13)19/h4-6,8,10-11,19H,7,9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.12 | OCHEM | 0 » -1 |
| 8.12 | Datawarrior | 0 » -1 |