Molecule ID: mol26538

SMILES: COc1c(Br)cc(OC)c2[nH]c(C)nc12

InChI: InChI=1S/C10H11BrN2O2/c1-5-12-8-7(14-2)4-6(11)10(15-3)9(8)13-5/h4H,1-3H3,(H,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization