Molecule ID: mol29585

SMILES: NC1=Nc2c(ncn2COCCO)CN1

InChI: InChI=1S/C8H13N5O2/c9-8-10-3-6-7(12-8)13(4-11-6)5-15-2-1-14/h4,14H,1-3,5H2,(H3,9,10,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization