Molecule ID: mol17822

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

InChI: InChI=1S/C33H48NO3P2/c1-5-36-39(35,37-6-2)33(3,4)34-28-20-9-7-8-10-21-29-38(30-22-14-11-15-23-30,31-24-16-12-17-25-31)32-26-18-13-19-27-32/h11-19,22-27,34H,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
6.94 OCHEM 2 » 1
6.94 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization