Molecule ID: mol30027

SMILES: CCCOP(=O)(COCCn1cnc2c(N)nc(N=C(N)N)nc21)OCCC

InChI: InChI=1S/C15H27N8O4P/c1-3-6-26-28(24,27-7-4-2)10-25-8-5-23-9-19-11-12(16)20-15(21-13(11)23)22-14(17)18/h9H,3-8,10H2,1-2H3,(H6,16,17,18,20,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.85 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization