Molecule ID: mol6833

SMILES: CCc1[nH]nc(C2CC2)c1C

InChI: InChI=1S/C9H14N2/c1-3-8-6(2)9(11-10-8)7-4-5-7/h7H,3-5H2,1-2H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization