Molecule ID: mol29893

SMILES: CCOP(=O)(O)O[C@H]1C[C@H](n2ccc(N)nc2=O)O[C@@H]1CO

InChI: InChI=1S/C11H18N3O7P/c1-2-19-22(17,18)21-7-5-10(20-8(7)6-15)14-4-3-9(12)13-11(14)16/h3-4,7-8,10,15H,2,5-6H2,1H3,(H,17,18)(H2,12,13,16)/t7-,8+,10+/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization