Molecule ID: mol8116

SMILES: CCC(C)Nc1ncc2nccnc2n1

InChI: InChI=1S/C10H13N5/c1-3-7(2)14-10-13-6-8-9(15-10)12-5-4-11-8/h4-7H,3H2,1-2H3,(H,12,13,14,15)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.75 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization