Molecule

ID:76743

General Information
Structure
MolImage
Molecular Formula
C₆H₈Br₂O₃
Molecular Mass
287.93392
Exact Mass
285.88401812
Charge
0
InChI
InChI=1S/C6H8Br2O3/c1-5(2)6(8,3-7)11-4(9)10-5/h3H2,1-2H3
InChIKey
YFMPUHKTFAHTIQ-UHFFFAOYSA-N
Canonic Smiles
BrCC1(Br)OC(=O)OC1(C)C
Isomeric Smiles
O1C(C(C)(C)OC1=O)(Br)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7433662
LogD (pH = 7.4)
2.7433662
Log P
2.7433662
Molar Refractivity
45.9429
Polarizability
18.664103
Polar Surface Area
35.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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