Molecule ID: mol34583

SMILES: c1cc(CN2CCNCCNCCNCC2)cc(CN2CCNCCNCCNCC2)c1

InChI: InChI=1S/C24H46N8/c1-2-23(21-31-16-12-27-8-4-25-5-9-28-13-17-31)20-24(3-1)22-32-18-14-29-10-6-26-7-11-30-15-19-32/h1-3,20,25-30H,4-19,21-22H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.90 QSARToolbox 6 » 5
2.63 QSARToolbox 6 » 5
2.70 QSARToolbox 6 » 5
2.89 QSARToolbox 6 » 5
8.30 QSARToolbox 1 » 0
8.90 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization