Molecule ID: mol19420

SMILES: CCCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3c(C(=O)NCCCC)cccc23)c(OC)c1

InChI: InChI=1S/C30H36N4O4S/c1-4-6-10-19-39(36,37)34-21-16-17-26(27(20-21)38-3)33-28-22-12-8-9-15-25(22)32-29-23(28)13-11-14-24(29)30(35)31-18-7-5-2/h8-9,11-17,20,34H,4-7,10,18-19H2,1-3H3,(H,31,35)(H,32,33)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization