Molecule ID: mol17823

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

InChI: InChI=1S/C31H44NO3P2/c1-5-34-37(33,35-6-2)31(3,4)32-26-18-7-8-19-27-36(28-20-12-9-13-21-28,29-22-14-10-15-23-29)30-24-16-11-17-25-30/h9-17,20-25,32H,5-8,18-19,26-27H2,1-4H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization