Molecule

ID:68129

General Information
Structure
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Molecular Formula
C₅H₉BrO
Molecular Mass
165.02836
Exact Mass
163.98367691
Charge
0
InChI
InChI=1S/C5H9BrO/c6-5-1-3-7-4-2-5/h5H,1-4H2
InChIKey
IVBVKTPDEWDNRW-UHFFFAOYSA-N
Canonic Smiles
BrC1CCOCC1
Isomeric Smiles
C1CC(CCO1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9826962
LogD (pH = 7.4)
0.9826962
Log P
0.9826962
Molar Refractivity
32.7713
Polarizability
12.746891
Polar Surface Area
9.23
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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