Molecule ID: mol20124

SMILES: C[C@@H](c1ccccc1)N(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI: InChI=1S/C19H23N5O4/c1-11(12-6-4-3-5-7-12)23(2)17-14-18(21-9-20-17)24(10-22-14)19-16(27)15(26)13(8-25)28-19/h3-7,9-11,13,15-16,19,25-27H,8H2,1-2H3/t11-,13+,15+,16+,19+/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.20 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization