Molecule ID: mol2278

SMILES: N[C@@H]1CCc2c(ccc(O)c2O)C1

InChI: InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2/t7-/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.90 Hunt 1 » 0
8.90 Hunt 1 » 0
10.50 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization