Molecule

ID:75129

General Information
Structure
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Molecular Formula
C₅H₇BrO₂
Molecular Mass
179.01188
Exact Mass
177.96294146
Charge
0
InChI
InChI=1S/C5H7BrO2/c1-8-5(7)3-2-4-6/h2-3H,4H2,1H3
InChIKey
RWIKCBHOVNDESJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)/C=C/CBr
Isomeric Smiles
O(C(=O)/C=C/CBr)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5581256
LogD (pH = 7.4)
1.5581256
Log P
1.5581256
Molar Refractivity
35.5432
Polarizability
13.377459
Polar Surface Area
26.3
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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