Molecule ID: mol22675

SMILES: C[N+]1(C)CCCC(C(=O)O)C1

InChI: InChI=1S/C8H15NO2/c1-9(2)5-3-4-7(6-9)8(10)11/h7H,3-6H2,1-2H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization