Molecule

ID:63471

General Information
Structure
MolImage
Molecular Formula
C₅H₉BrO
Molecular Mass
165.02836
Exact Mass
163.98367691
Charge
0
InChI
InChI=1S/C5H9BrO/c1-5(2-6)3-7-4-5/h2-4H2,1H3
InChIKey
MGBZKWOJRYGRTO-UHFFFAOYSA-N
Canonic Smiles
BrCC1(C)COC1
Isomeric Smiles
C1(C)(CBr)COC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2439753
LogD (pH = 7.4)
1.2439753
Log P
1.2439753
Molar Refractivity
32.4774
Polarizability
12.745509
Polar Surface Area
9.23
Rotatable Bonds
1
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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