Molecule ID: mol22643

SMILES: C[C@@H]1CC[C@H](C)[C@H]2[C@H]3C[C@H]([C@@H](C(=O)O)[C@@H]3CC(=O)O)[C@H]21

InChI: InChI=1S/C16H24O4/c1-7-3-4-8(2)14-11-5-9(13(7)14)10(6-12(17)18)15(11)16(19)20/h7-11,13-15H,3-6H2,1-2H3,(H,17,18)(H,19,20)/t7-,8+,9-,10+,11-,13-,14+,15-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.46 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization