Molecule ID: mol13931

SMILES: CCc1cnc(C(=O)O)cc1CC

InChI: InChI=1S/C10H13NO2/c1-3-7-5-9(10(12)13)11-6-8(7)4-2/h5-6H,3-4H2,1-2H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization