Molecule ID: mol34645

SMILES: c1c2n[nH]c1CNCCOCCNCc1cc([nH]n1)CNCCOCCNC2

InChI: InChI=1S/C18H32N8O2/c1-5-27-6-2-20-13-17-10-18(26-25-17)14-22-4-8-28-7-3-21-12-16-9-15(11-19-1)23-24-16/h9-10,19-22H,1-8,11-14H2,(H,23,24)(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization