Molecule ID: mol35099

SMILES: C[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)O

InChI: InChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6-,7+,8-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.30 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization