Molecule ID: mol22470

SMILES: C[N+](C)(C)C12CCC(C(=O)O)(CC1)CC2

InChI: InChI=1S/C12H21NO2/c1-13(2,3)12-7-4-11(5-8-12,6-9-12)10(14)15/h4-9H2,1-3H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization