Molecule ID: mol23028

SMILES: CC[N+](CC)(CC)c1ccc(C(=O)O)cc1

InChI: InChI=1S/C13H19NO2/c1-4-14(5-2,6-3)12-9-7-11(8-10-12)13(15)16/h7-10H,4-6H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization