Molecule ID: mol31860

SMILES: CC(C)NC[C@@H](O)c1ccc(O)c(O)c1

InChI: InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3/t11-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.65 OCHEM 1 » 0
8.65 OCHEM 1 » 0
10.07 OCHEM 0 » -1
10.07 OCHEM 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization