Molecule ID: mol30799

SMILES: Oc1ccc(/N=N/c2ccccc2Cl)c(O)c1

InChI: InChI=1S/C12H9ClN2O2/c13-9-3-1-2-4-10(9)14-15-11-6-5-8(16)7-12(11)17/h1-7,16-17H/b15-14+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-1.11 AttenGpKa training set 2 » 1
2.23 AttenGpKa training set 1 » 0
6.19 AttenGpKa training set 0 » -1
12.69 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization