Molecule ID: mol31433

SMILES: COc1cc(C(=O)N(C)O)ccc1C

InChI: InChI=1S/C10H13NO3/c1-7-4-5-8(6-9(7)14-3)10(12)11(2)13/h4-6,13H,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization