Molecule ID: mol8614

SMILES: OC[C@H]1OC(Nc2ccc(Cl)cc2)[C@H](O)[C@@H](O)[C@@H]1O

InChI: InChI=1S/C12H16ClNO5/c13-6-1-3-7(4-2-6)14-12-11(18)10(17)9(16)8(5-15)19-12/h1-4,8-12,14-18H,5H2/t8-,9-,10+,11-,12?/m1/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.26 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization