Molecule ID: mol17830

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

InChI: InChI=1S/C30H42NO3P2/c1-5-33-36(32,34-6-2)30(26(3)4)31-24-16-17-25-35(27-18-10-7-11-19-27,28-20-12-8-13-21-28)29-22-14-9-15-23-29/h7-15,18-23,26,30-31H,5-6,16-17,24-25H2,1-4H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization