Molecule ID: mol1979

SMILES: NC[C@@H]1Cc2c1ccc(O)c2O

InChI: InChI=1S/C9H11NO2/c10-4-5-3-7-6(5)1-2-8(11)9(7)12/h1-2,5,11-12H,3-4,10H2/t5-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.50 Hunt 1 » 0
10.40 Hunt -1 » -2
10.40 Hunt -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization