Molecule ID: mol36451

SMILES: CN1C(=O)CSc2ncnc(N3CCCCC3)c21

InChI: InChI=1S/C12H16N4OS/c1-15-9(17)7-18-12-10(15)11(13-8-14-12)16-5-3-2-4-6-16/h8H,2-7H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.51 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization