Molecule ID: mol19421

SMILES: CNC(=O)CNC(=O)c1cccc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12

InChI: InChI=1S/C25H25N5O5S/c1-26-22(31)14-27-25(32)18-9-6-8-17-23(16-7-4-5-10-19(16)28-24(17)18)29-20-12-11-15(13-21(20)35-2)30-36(3,33)34/h4-13,30H,14H2,1-3H3,(H,26,31)(H,27,32)(H,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization