Molecule ID: mol20889

SMILES: CC(C)(C)C1CCC(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)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.68 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization