Molecule ID: mol1600

SMILES: O=C(O)c1ncc(-c2ccc(Cl)cc2)o1

InChI: InChI=1S/C10H6ClNO3/c11-7-3-1-6(2-4-7)8-5-12-9(15-8)10(13)14/h1-5H,(H,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization