Molecule ID: mol35104

SMILES: C[C@H](NC(=S)Nc1ccncc1)C(C)(C)C

InChI: InChI=1S/C12H19N3S/c1-9(12(2,3)4)14-11(16)15-10-5-7-13-8-6-10/h5-9H,1-4H3,(H2,13,14,15,16)/t9-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.89 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization