Molecule ID: mol2247

SMILES: CCC(=O)O[C@H](C)CN(C)C

InChI: InChI=1S/C8H17NO2/c1-5-8(10)11-7(2)6-9(3)4/h7H,5-6H2,1-4H3/t7-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.26 OCHEM 1 » 0
8.26 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization