Molecule

ID:68863

General Information
Structure
MolImage
Molecular Formula
C₃H₄Br₂O₂
Molecular Mass
231.87066
Exact Mass
229.85780337
Charge
0
InChI
InChI=1S/C3H4Br2O2/c4-1-2(5)3(6)7/h2H,1H2,(H,6,7)
InChIKey
ZMYAKSMZTVWUJB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CBr)Br
Isomeric Smiles
C(=O)(C(CBr)Br)O
Calculated Properties
JChem
Acid pKa
2.2442143
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.5091919
LogD (pH = 7.4)
-1.9578879
Log P
1.5614347
Molar Refractivity
32.4525
Polarizability
13.088953
Polar Surface Area
37.3
Rotatable Bonds
2
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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