Molecule ID: mol8050

SMILES: Cc1nc2c(N)nc(=O)nc-2n(-c2ccccc2)c1C

InChI: InChI=1S/C14H13N5O/c1-8-9(2)19(10-6-4-3-5-7-10)13-11(16-8)12(15)17-14(20)18-13/h3-7H,1-2H3,(H2,15,17,20)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization