Molecule ID: mol2053

SMILES: NCC1CCCCC1

InChI: InChI=1S/C7H15N/c8-6-7-4-2-1-3-5-7/h7H,1-6,8H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.49 IUPAC digitized pKa 1 » 0
10.49 OCHEM 1 » 0
10.49 Hunt 1 » 0
10.49 AttenGpKa training set 1 » 0
10.52 Datawarrior 1 » 0
10.52 OCHEM 1 » 0
10.54 OCHEM 1 » 0
10.59 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization