Molecule ID: mol3705

SMILES: CCc1ccc(C)nc1

InChI: InChI=1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.51 IUPAC digitized pKa 1 » 0
6.51 Organic Oxygen Acids and Nitrogen Bases 1 » 0
6.51 OCHEM 1 » 0
6.51 OCHEM 1 » 0
6.51 OCHEM 1 » 0
6.51 OCHEM 1 » 0
6.51 OCHEM 1 » 0
6.51 AttenGpKa training set 1 » 0
6.51 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization