Molecule ID: mol20687

SMILES: Cc1ncc2n1C(=O)N(N1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2

InChI: InChI=1S/C23H24ClN5O4S/c1-16-25-14-20-15-28(23(31)29(16)20)27-9-7-26(8-10-27)22(30)6-11-34(32,33)21-5-3-17-12-19(24)4-2-18(17)13-21/h2-5,12-14H,6-11,15H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization