Molecule ID: mol17753

SMILES: CCCCc1cc(OC2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)c2ncccc2c1

InChI: InChI=1S/C25H38N2O3S/c1-5-6-9-20-18-21-10-7-13-26-24(21)23(19-20)30-22-11-15-27(16-12-22)14-8-17-31(28,29)25(2,3)4/h7,10,13,18-19,22H,5-6,8-9,11-12,14-17H2,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization