Molecule ID: mol33753

SMILES: CCCC(=NOCC)C1=C(O)CC(CC(C)SCC)CC1=O

InChI: InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.58 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization