Molecule ID: mol11072

SMILES: NCCCc1ccccc1O

InChI: InChI=1S/C9H13NO/c10-7-3-5-8-4-1-2-6-9(8)11/h1-2,4,6,11H,3,5,7,10H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization