Molecule ID: mol1104

SMILES: CN(C)c1cccc([N+](C)(C)C)c1

InChI: InChI=1S/C11H19N2/c1-12(2)10-7-6-8-11(9-10)13(3,4)5/h6-9H,1-5H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.27 AttenGpKa training set 2 » 1
2.60 OCHEM 2 » 1
2.60 QSARToolbox 2 » 1
2.60 QSARToolbox 2 » 1
2.60 IUPAC digitized pKa 2 » 1
2.60 Datawarrior 2 » 1
2.60 Hunt 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization