Molecule ID: mol22681

SMILES: C[N+]12CCC(CC1)CC2C(=O)O

InChI: InChI=1S/C9H15NO2/c1-10-4-2-7(3-5-10)6-8(10)9(11)12/h7-8H,2-6H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization