Molecule ID: mol37441

SMILES: NC(=S)NNC(=O)[C@H](Cc1ccccc1)NC=O

InChI: InChI=1S/C11H14N4O2S/c12-11(18)15-14-10(17)9(13-7-16)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,13,16)(H,14,17)(H3,12,15,18)/t9-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization