Molecule ID: mol35552

SMILES: C=Cc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

InChI: InChI=1S/C12H15N5O3/c1-2-6-10-11(16-12(13)15-6)17(5-14-10)9-3-7(19)8(4-18)20-9/h2,5,7-9,18-19H,1,3-4H2,(H2,13,15,16)/t7-,8+,9+/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.70 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization