Molecule ID: mol22597

SMILES: O=C(O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)O

InChI: InChI=1S/C10H14O4/c11-9(12)7-5-1-2-6(4-3-5)8(7)10(13)14/h5-8H,1-4H2,(H,11,12)(H,13,14)/t5?,6?,7-,8+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.79 QSARToolbox -1 » -2
4.79 AttenGpKa training set -1 » -2
6.95 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization