Molecule ID: mol29030

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

InChI: InChI=1S/C9H13N2O5P/c1-6-9(12)8(4-10-2)7(3-11-6)5-16-17(13,14)15/h3-4,12H,5H2,1-2H3,(H2,13,14,15)/b10-4-

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.80 AttenGpKa training set 0 » -1
11.40 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization