Molecule ID: mol5131

SMILES: CCC(CN1c2ccccc2Sc2ccccc21)N(C)C

InChI: InChI=1S/C18H22N2S/c1-4-14(19(2)3)13-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12,14H,4,13H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization