Molecule ID: mol2408

SMILES: COC(=O)c1ccc(N(C)C)cc1

InChI: InChI=1S/C10H13NO2/c1-11(2)9-6-4-8(5-7-9)10(12)13-3/h4-7H,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.52 QSARToolbox 1 » 0
2.52 IUPAC digitized pKa 1 » 0
2.52 OCHEM 1 » 0
2.52 Hunt 1 » 0
2.52 OCHEM 1 » 0
2.61 QSARToolbox 1 » 0
2.61 OCHEM 1 » 0
2.61 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization