Molecule ID: mol29792

SMILES: CN1CCC(=C2c3ccccc3CCc3sccc32)CC1

InChI: InChI=1S/C19H21NS/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18/h2-5,10,13H,6-9,11-12H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.95 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization