Molecule ID: mol19415

SMILES: CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(N)=O)cccc23)c(OC)c1

InChI: InChI=1S/C25H26N4O4S/c1-3-4-14-34(31,32)29-16-12-13-21(22(15-16)33-2)28-23-17-8-5-6-11-20(17)27-24-18(23)9-7-10-19(24)25(26)30/h5-13,15,29H,3-4,14H2,1-2H3,(H2,26,30)(H,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization