Molecule ID: mol12297

SMILES: O=C(C(=S)N(CCCCCO)CCCCCO)N(CCCCCO)CCCCCO

InChI: InChI=1S/C22H44N2O5S/c25-17-9-1-5-13-23(14-6-2-10-18-26)21(29)22(30)24(15-7-3-11-19-27)16-8-4-12-20-28/h25-28H,1-20H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.04 IUPAC digitized pKa 0 » -1
12.19 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization