Molecule ID: mol22682

SMILES: C[N+]12CCC(C(=O)O)(CC1)CC2

InChI: InChI=1S/C9H15NO2/c1-10-5-2-9(3-6-10,4-7-10)8(11)12/h2-7H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization