Molecule ID: mol29055

SMILES: O=P(O)(O)C(c1ccccc1)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C19H17O3P/c20-23(21,22)19(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.85 AttenGpKa training set 0 » -1
9.00 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization