Molecule ID: mol20123

SMILES: C[C@@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)c1ccccc1

InChI: InChI=1S/C18H21N5O4/c1-10(11-5-3-2-4-6-11)22-16-13-17(20-8-19-16)23(9-21-13)18-15(26)14(25)12(7-24)27-18/h2-6,8-10,12,14-15,18,24-26H,7H2,1H3,(H,19,20,22)/t10-,12-,14-,15-,18-/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization