Molecule ID: mol17825

SMILES: CCOP(=O)(OCC)C(NCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C

InChI: InChI=1S/C38H58NO3P2/c1-5-41-44(40,42-6-2)38(34(3)4)39-32-24-13-11-9-7-8-10-12-14-25-33-43(35-26-18-15-19-27-35,36-28-20-16-21-29-36)37-30-22-17-23-31-37/h15-23,26-31,34,38-39H,5-14,24-25,32-33H2,1-4H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization