Molecule ID: mol16706

SMILES: O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4CCCCO4)cc3)cc12

InChI: InChI=1S/C20H18ClNO3/c21-17-10-18-15(16(11-22-18)20(23)24)9-14(17)12-4-6-13(7-5-12)19-3-1-2-8-25-19/h4-7,9-11,19,22H,1-3,8H2,(H,23,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization