Molecule ID: mol35008

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

InChI: InChI=1S/C12H18NO4P/c1-12(2,3)11(14)13-10(18(15,16)17)9-7-5-4-6-8-9/h4-8,10H,1-3H3,(H,13,14)(H2,15,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.46 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization