Molecule ID: mol12674

SMILES: COCCNc1cccc(C)c1

InChI: InChI=1S/C10H15NO/c1-9-4-3-5-10(8-9)11-6-7-12-2/h3-5,8,11H,6-7H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.29 QSARToolbox 1 » 0
4.29 Datawarrior 1 » 0
4.29 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization