Molecule ID: mol924

SMILES: NCCCCCO

InChI: InChI=1S/C5H13NO/c6-4-2-1-3-5-7/h7H,1-6H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization