Molecule

ID:135993

General Information
Structure
MolImage
Molecular Formula
C₂H₃BrO₂
Molecular Mass
140.93332968
Exact Mass
139.93835101
Charge
0
InChI
InChI=1S/C2H3BrO2/c3-1-2(4)5/h1H2,(H,4,5)/i1+1,2+1
InChIKey
KDPAWGWELVVRCH-ZDOIIHCHSA-N
Canonic Smiles
O[13C](=O)[13CH2]Br
Isomeric Smiles
[13CH2]([13C](=O)O)Br
Calculated Properties
JChem
Acid pKa
2.638998
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.27769
LogD (pH = 7.4)
-3.0052185
Log P
0.49949336
Molar Refractivity
20.3804
Polarizability
8.17083
Polar Surface Area
37.3
Rotatable Bonds
1
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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