Molecule ID: mol6310

SMILES: CNCC(O)c1ccc2c(c1)CCCC2

InChI: InChI=1S/C13H19NO/c1-14-9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h6-8,13-15H,2-5,9H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.16 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization