Molecule

ID:87759

General Information
Structure
MolImage
Molecular Formula
C₄H₆Br₂O₂
Molecular Mass
245.89724
Exact Mass
243.87345343
Charge
0
InChI
InChI=1S/C4H6Br2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3
InChIKey
ROXQOUUAPQUMLN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(CBr)Br
Isomeric Smiles
O=C(OC)C(CBr)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7073288
LogD (pH = 7.4)
1.7073288
Log P
1.7073288
Molar Refractivity
37.2216
Polarizability
15.00623
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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