Molecule ID: SAMPL8-23

SMILES: Cc1nc2cc(O)ccc2s1

InChI: InChI=1S/C8H7NOS/c1-5-9-7-4-6(10)2-3-8(7)11-5/h2-4,10H,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.65 SAMPL8 1 » 0
9.02 SAMPL8 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization