Molecule ID: mol35855

SMILES: CCOC(=O)C1Sc2ncnc(N3CCCCC3)c2NC1=O

InChI: InChI=1S/C14H18N4O3S/c1-2-21-14(20)10-12(19)17-9-11(15-8-16-13(9)22-10)18-6-4-3-5-7-18/h8,10H,2-7H2,1H3,(H,17,19)

Experimental Macro pKa Values

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