Molecule ID: mol12985

SMILES: C=CCc1c(O)n[nH]c1C

InChI: InChI=1S/C7H10N2O/c1-3-4-6-5(2)8-9-7(6)10/h3H,1,4H2,2H3,(H2,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization