Molecule ID: mol19976

SMILES: Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)N3CCOCC3)O2)c(=O)[nH]c1=O

InChI: InChI=1S/C14H21N6O7P/c1-9-7-20(14(22)16-13(9)21)12-6-10(17-18-15)11(27-12)8-26-28(23,24)19-2-4-25-5-3-19/h7,10-12H,2-6,8H2,1H3,(H,23,24)(H,16,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.36 Baltruschat ChEMBL -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization