Molecule ID: mol26342

SMILES: CC1(C)CC(=O)C(C2NC(S)=Nc3nccnc32)C(=O)C1

InChI: InChI=1S/C14H16N4O2S/c1-14(2)5-7(19)9(8(20)6-14)10-11-12(16-4-3-15-11)18-13(21)17-10/h3-4,9-10H,5-6H2,1-2H3,(H2,16,17,18,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
12.20 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization