Molecule ID: mol25498

SMILES: Cn1cc[n+](CCCCCC(=O)O)c1

InChI: InChI=1S/C10H16N2O2/c1-11-7-8-12(9-11)6-4-2-3-5-10(13)14/h7-9H,2-6H2,1H3/p+1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization