Molecule ID: mol7419

SMILES: CNc1nc(C)c(-c2ccccc2)c(C)n1

InChI: InChI=1S/C13H15N3/c1-9-12(11-7-5-4-6-8-11)10(2)16-13(14-3)15-9/h4-8H,1-3H3,(H,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization