Molecule ID: mol7524

SMILES: Nc1nc(N)c(Cc2ccccc2)c(N)n1

InChI: InChI=1S/C11H13N5/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H6,12,13,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization