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3EE
FEATURES
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NAMES
  • 3EE
SMILES
Nc1ccccc1C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
MOLECULAR FORMULA
C10H9NO4
CROSS REFERENCES
  • UniChem: 1067288
  • canSAR: 1716617
  • PDBe (Protein Data Bank Europe): 3EE
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3EE

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 207.05
AlogP 0.50
HBond donors 3
HBond acceptors 5
Atoms 24
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 3EE.