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98J
FEATURES
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NAMES
  • 98J
SMILES
O=C(O)CC(=O)CCO
InChI
InChI=1S/C5H8O4/c6-2-1-4(7)3-5(8)9/h6H,1-3H2,(H,8,9)
MOLECULAR FORMULA
C5H8O4
CROSS REFERENCES
  • UniChem: 26153711
  • canSAR: 1016695
  • PDBe (Protein Data Bank Europe): 98J
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98J

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 132.04
AlogP -0.59
HBond donors 2
HBond acceptors 4
Atoms 17
Contains toxicophore Yes
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 98J.