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KIJ
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NAMES
  • KIJ
SMILES
O=C(O)c1cc(O)c(O)c(Oc2cccc([N+](=O)[O-])c2)c1
InChI
InChI=1S/C13H9NO7/c15-10-4-7(13(17)18)5-11(12(10)16)21-9-3-1-2-8(6-9)14(19)20/h1-6,15-16H,(H,17,18)
MOLECULAR FORMULA
C13H9NO7
CROSS REFERENCES
  • UniChem: 76240166
  • canSAR: 1148191
  • PDBe (Protein Data Bank Europe): KIJ
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KIJ

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 291.04
AlogP 2.50
HBond donors 3
HBond acceptors 8
Atoms 30
Contains toxicophore Yes
Contains PAINS Yes
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by KIJ.