Molecule ID: mol8406

SMILES: NC(=O)C1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1

InChI: InChI=1S/C21H24ClN3OS/c22-16-6-7-20-18(14-16)25(17-4-1-2-5-19(17)27-20)11-3-10-24-12-8-15(9-13-24)21(23)26/h1-2,4-7,14-15H,3,8-13H2,(H2,23,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization