Molecule ID: mol20102

SMILES: CCN(CC)CCS/C(=N\O)c1nc(Cc2ccccc2)no1

InChI: InChI=1S/C16H22N4O2S/c1-3-20(4-2)10-11-23-16(18-21)15-17-14(19-22-15)12-13-8-6-5-7-9-13/h5-9,21H,3-4,10-12H2,1-2H3/b18-16-

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization