Molecule ID: mol1824

SMILES: NCCCCO

InChI: InChI=1S/C4H11NO/c5-3-1-2-4-6/h6H,1-5H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization