Molecule ID: mol20686

SMILES: Cc1nccn1CCC1CCN(C(=O)CCS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CC1

InChI: InChI=1S/C24H28ClN3O3S/c1-18-26-10-14-27(18)11-6-19-7-12-28(13-8-19)24(29)9-15-32(30,31)23-5-3-20-16-22(25)4-2-21(20)17-23/h2-5,10,14,16-17,19H,6-9,11-13,15H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization