Molecule ID: mol18333

SMILES: O=C(C1CCC1)N1CCCC1c1cnc(-c2cccc(Cl)c2)cc1O

InChI: InChI=1S/C20H21ClN2O2/c21-15-7-2-6-14(10-15)17-11-19(24)16(12-22-17)18-8-3-9-23(18)20(25)13-4-1-5-13/h2,6-7,10-13,18H,1,3-5,8-9H2,(H,22,24)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization