Molecule ID: mol35033
SMILES: CC(C)(C)[C@H]1CC[C@H](CC2=C(OP(=O)(O)O)C(=O)c3ccccc3C2=O)CC1
InChI: InChI=1S/C21H27O6P/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)27-28(24,25)26/h4-7,13-14H,8-12H2,1-3H3,(H2,24,25,26)/t13-,14-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.68 | QSARToolbox | 0 » -1 |