Molecule ID: mol35032
SMILES: CC(C)(C)[C@H]1CC[C@H](CC2=C(OCOP(=O)(O)O)C(=O)c3ccccc3C2=O)CC1
InChI: InChI=1S/C22H29O7P/c1-22(2,3)15-10-8-14(9-11-15)12-18-19(23)16-6-4-5-7-17(16)20(24)21(18)28-13-29-30(25,26)27/h4-7,14-15H,8-13H2,1-3H3,(H2,25,26,27)/t14-,15-
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.28 | QSARToolbox | 0 » -1 |