Molecule ID: mol29845

SMILES: N=C(N)Nc1ncnc2c1ncn2CCOCP(=O)(O)O

InChI: InChI=1S/C9H14N7O4P/c10-9(11)15-7-6-8(13-3-12-7)16(4-14-6)1-2-20-5-21(17,18)19/h3-4H,1-2,5H2,(H2,17,18,19)(H4,10,11,12,13,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization