Molecule ID: mol17821

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

InChI: InChI=1S/C37H56NO3P2/c1-5-40-43(39,41-6-2)37(3,4)38-32-24-13-11-9-7-8-10-12-14-25-33-42(34-26-18-15-19-27-34,35-28-20-16-21-29-35)36-30-22-17-23-31-36/h15-23,26-31,38H,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
6.85 OCHEM 2 » 1
6.85 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization