Molecule ID: mol7809

SMILES: Cc1c(C#N)c(O)nc2c1CCO2

InChI: InChI=1S/C9H8N2O2/c1-5-6-2-3-13-9(6)11-8(12)7(5)4-10/h2-3H2,1H3,(H,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.19 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization