Molecule

ID:24622

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrO₂
Molecular Mass
174.98012
Exact Mass
173.93164134
Charge
0
InChI
InChI=1S/C5H3BrO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKey
WJTFHWXMITZNHS-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(o1)C=O
Isomeric Smiles
c1(oc(cc1)C=O)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2151029
LogD (pH = 7.4)
1.2151029
Log P
1.2151029
Molar Refractivity
32.4377
Polarizability
12.253852
Polar Surface Area
30.21
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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