Molecule ID: mol3484

SMILES: CNCC(C)c1ccccc1

InChI: InChI=1S/C10H15N/c1-9(8-11-2)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization