Molecule ID: mol17827

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

InChI: InChI=1S/C32H46NO3P2/c1-5-35-38(34,36-6-2)32(28(3)4)33-26-18-7-8-19-27-37(29-20-12-9-13-21-29,30-22-14-10-15-23-30)31-24-16-11-17-25-31/h9-17,20-25,28,32-33H,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
5.99 OCHEM 2 » 1
5.99 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization