Molecule ID: mol36496

SMILES: CN1CCCN(CP(=O)(O)O)CCN(Cc2ccccc2)CCCN(CP(=O)(O)O)CC1

InChI: InChI=1S/C20H38N4O6P2/c1-21-9-5-11-24(19-32(28,29)30)16-15-22(17-20-7-3-2-4-8-20)10-6-12-23(14-13-21)18-31(25,26)27/h2-4,7-8H,5-6,9-19H2,1H3,(H2,25,26,27)(H2,28,29,30)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.87 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization