Molecule ID: mol29031

SMILES: C/N=C/c1c(COP(=O)(OC)OC)cnc(C)c1O

InChI: InChI=1S/C11H17N2O5P/c1-8-11(14)10(6-12-2)9(5-13-8)7-18-19(15,16-3)17-4/h5-6,14H,7H2,1-4H3/b12-6+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization