Molecule ID: mol19972

SMILES: Cc1cn(C2CC(N=[N+]=[N-])C(COP(=O)(O)N3CCCCC3)O2)c(=O)[nH]c1=O

InChI: InChI=1S/C15H23N6O6P/c1-10-8-21(15(23)17-14(10)22)13-7-11(18-19-16)12(27-13)9-26-28(24,25)20-5-3-2-4-6-20/h8,11-13H,2-7,9H2,1H3,(H,24,25)(H,17,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization