Molecule ID: mol17826

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

InChI: InChI=1S/C34H50NO3P2/c1-5-37-40(36,38-6-2)34(30(3)4)35-28-20-9-7-8-10-21-29-39(31-22-14-11-15-23-31,32-24-16-12-17-25-32)33-26-18-13-19-27-33/h11-19,22-27,30,34-35H,5-10,20-21,28-29H2,1-4H3/q+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.23 OCHEM 2 » 1
6.23 Baltruschat ChEMBL 2 » 1
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Charge States and Microspecies Visualization