Molecule ID: mol9867

SMILES: O=C(O)c1c[n+]([O-])ccc1Cl

InChI: InChI=1S/C6H4ClNO3/c7-5-1-2-8(11)3-4(5)6(9)10/h1-3H,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.80 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization