Molecule ID: mol2725

SMILES: CCc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1C1C(=O)CCCC1=O

InChI: InChI=1S/C22H19ClN2O3/c1-2-13-6-8-15(11-16(13)22-19(26)4-3-5-20(22)27)28-21-12-24-18-10-14(23)7-9-17(18)25-21/h6-12,22H,2-5H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization