Molecule

ID:34334

General Information
Structure
MolImage
Molecular Formula
C₅H₉BrO
Molecular Mass
165.02836
Exact Mass
163.98367691
Charge
0
InChI
InChI=1S/C5H9BrO/c6-5-2-1-3-7-4-5/h5H,1-4H2
InChIKey
FQBAAVZEEPNKMR-UHFFFAOYSA-N
Canonic Smiles
BrC1CCCOC1
Isomeric Smiles
C1COCC(C1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4400991
LogD (pH = 7.4)
1.4400991
Log P
1.4400991
Molar Refractivity
32.5505
Polarizability
12.747909
Polar Surface Area
9.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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