Molecule ID: mol1692

SMILES: COC(=O)c1ccc(N)cc1C

InChI: InChI=1S/C9H11NO2/c1-6-5-7(10)3-4-8(6)9(11)12-2/h3-5H,10H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.73 Hunt 1 » 0
2.73 OCHEM 1 » 0
2.73 AttenGpKa training set 1 » 0
2.73 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization