Molecule ID: mol2085

SMILES: NCCCCCc1ccccc1

InChI: InChI=1S/C11H17N/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10,12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization