Molecule ID: mol17523

SMILES: CN(C)CCCN1c2ccccc2Sc2ccc(C#N)cc21

InChI: InChI=1S/C18H19N3S/c1-20(2)10-5-11-21-15-6-3-4-7-17(15)22-18-9-8-14(13-19)12-16(18)21/h3-4,6-9,12H,5,10-11H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.29 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization