Molecule ID: mol38225

SMILES: Nc1ncnc2c1ccn2CCOCP(=O)(O)O

InChI: InChI=1S/C9H13N4O4P/c10-8-7-1-2-13(9(7)12-5-11-8)3-4-17-6-18(14,15)16/h1-2,5H,3-4,6H2,(H2,10,11,12)(H2,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization