Molecule ID: mol35934

SMILES: O=[N+]([O-])c1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C13H14N6O2/c20-19(21)10-3-4-11-12(6-10)18-13(17-11)15-5-1-2-9-7-14-8-16-9/h3-4,6-8H,1-2,5H2,(H,14,16)(H2,15,17,18)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization