Molecule ID: mol13001

SMILES: CN(C)c1cccc[n+]1O

InChI: InChI=1S/C7H11N2O/c1-8(2)7-5-3-4-6-9(7)10/h3-6,10H,1-2H3/q+1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-4.90 AttenGpKa training set 2 » 1
2.27 Datawarrior 1 » 0
2.27 OCHEM 1 » 0
2.27 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization