Molecule ID: mol19974

SMILES: CCCCNP(=O)(O)OCC1OC(n2cc(C)c(=O)[nH]c2=O)CC1N=[N+]=[N-]

InChI: InChI=1S/C14H23N6O6P/c1-3-4-5-16-27(23,24)25-8-11-10(18-19-15)6-12(26-11)20-7-9(2)13(21)17-14(20)22/h7,10-12H,3-6,8H2,1-2H3,(H2,16,23,24)(H,17,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.64 Baltruschat ChEMBL -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization