Molecule ID: mol17648

SMILES: CN(C)CCSC1=Nc2cccc3cccc(c23)N1

InChI: InChI=1S/C15H17N3S/c1-18(2)9-10-19-15-16-12-7-3-5-11-6-4-8-13(17-15)14(11)12/h3-8H,9-10H2,1-2H3,(H,16,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.66 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization