Molecule ID: mol31614

SMILES: O/N=C(Cl)/C(=N/O)c1ccccc1

InChI: InChI=1S/C8H7ClN2O2/c9-8(11-13)7(10-12)6-4-2-1-3-5-6/h1-5,12-13H/b10-7+,11-8-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization