BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

EU-OPENSCREEN Compound 103213

EU-OPENSCREEN Compound 103213 bmse012453 - Data

EU-OPENSCREEN Compound 103213 synonyms

Wikipedia:

Graphical representations:

EU-OPENSCREEN

View large 3D structure

Molecular Formula: C10H15F2N3

Natural Isotopic Abundance Mass: 215.24300639999996

Mono-Isotopic Molecular Masses:

  • C12N14: 215.123403935
  • C13N14: 225.15695231500004
  • C12N15: 218.11450861400002
  • C13N15: 228.14805699400006

InChI string: InChI=1S/C10H15F2N3/c1-8-6-15(5-3-10(8,11)12)7-9-2-4-13-14-9/h2,4,8H,3,5-7H2,1H3,(H,13,14)/t8-/m0/s1

EU-OPENSCREEN: EOS103213

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)