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E5E
FEATURES
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NAMES
  • E5E
SMILES
[NH3+]CC(O)c1ccc(O)c(O)c1
InChI
InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1
MOLECULAR FORMULA
C8H12NO3+
CROSS REFERENCES
  • UniChem: 5149530
  • canSAR: 2120338
  • PDBe (Protein Data Bank Europe): E5E
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E5E

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 170.08
AlogP -0.63
HBond donors 6
HBond acceptors 4
Atoms 24
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 E5E.