Molecule ID: mol38331

SMILES: NCCCCN1CCNCCN(Cc2ccc(CN3CCNCCN(CCCCN)CCNCC3)cc2)CCNCC1

InChI: InChI=1S/C32H64N10/c33-9-1-3-19-39-21-11-35-15-25-41(26-16-36-12-22-39)29-31-5-7-32(8-6-31)30-42-27-17-37-13-23-40(20-4-2-10-34)24-14-38-18-28-42/h5-8,35-38H,1-4,9-30,33-34H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.40 QSARToolbox 5 » 4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization