Molecule ID: mol19947

SMILES: Nc1nc(NC2CCCC2)cc(C2CCNCC2)n1

InChI: InChI=1S/C14H23N5/c15-14-18-12(10-5-7-16-8-6-10)9-13(19-14)17-11-3-1-2-4-11/h9-11,16H,1-8H2,(H3,15,17,18,19)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.10 OCHEM 2 » 1
6.10 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization