Molecule ID: euroSAMPL-23

SMILES: CCc1ncc(C(=O)O)c(C)n1

InChI: InChI=1S/C8H10N2O2/c1-3-7-9-4-6(8(11)12)5(2)10-7/h4H,3H2,1-2H3,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.16 euroSAMPL1 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization