Molecule ID: mol36981

SMILES: O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCSCCNC(=O)CCC(=O)N(O)CCCCCN1

InChI: InChI=1S/C26H46N6O9S/c33-21-7-10-24(36)30(39)16-5-2-4-14-28-22(34)8-12-26(38)32(41)18-20-42-19-15-29-23(35)9-11-25(37)31(40)17-6-1-3-13-27-21/h39-41H,1-20H2,(H,27,33)(H,28,34)(H,29,35)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.57 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization