Molecule ID: mol21281

SMILES: O=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1ccccc1

InChI: InChI=1S/C30H28NO2P/c32-29(31-30(33)25-15-5-1-6-16-25)23-13-14-24-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27)28-21-11-4-12-22-28/h1-12,15-22H,13-14,23-24H2/p+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
12.90 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization