Molecule ID: mol35703

SMILES: Cc1ccc2[nH]c(NCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C13H15N5/c1-9-2-3-11-12(6-9)18-13(17-11)15-5-4-10-7-14-8-16-10/h2-3,6-8H,4-5H2,1H3,(H,14,16)(H2,15,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.27 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization