Molecule ID: mol8123

SMILES: Nc1nc(N)c2c(n1)NCCN2C(=O)c1ccccc1

InChI: InChI=1S/C13H14N6O/c14-10-9-11(18-13(15)17-10)16-6-7-19(9)12(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H5,14,15,16,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization