Molecule ID: mol17824

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

InChI: InChI=1S/C29H40NO3P2/c1-5-32-35(31,33-6-2)29(3,4)30-24-16-17-25-34(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23,30H,5-6,16-17,24-25H2,1-4H3/q+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization