Molecule ID: mol27531

SMILES: CONC(=O)Oc1ccc(C)cc1

InChI: InChI=1S/C9H11NO3/c1-7-3-5-8(6-4-7)13-9(11)10-12-2/h3-6H,1-2H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization