Molecule ID: mol35702

SMILES: Cc1ccc2[nH]c(NCCCc3c[nH]cn3)nc2c1

InChI: InChI=1S/C14H17N5/c1-10-4-5-12-13(7-10)19-14(18-12)16-6-2-3-11-8-15-9-17-11/h4-5,7-9H,2-3,6H2,1H3,(H,15,17)(H2,16,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization