Molecule ID: mol25346

SMILES: CC(C)c1c(N)n[nH]c1O

InChI: InChI=1S/C6H11N3O/c1-3(2)4-5(7)8-9-6(4)10/h3H,1-2H3,(H4,7,8,9,10)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization