Molecule

ID:64977

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃BrO₂
Molecular Mass
221.09162
Exact Mass
220.00989166
Charge
0
InChI
InChI=1S/C8H13BrO2/c9-7-3-1-2-4-8(7)10-5-6-11-8/h7H,1-6H2
InChIKey
HIZCXYHMIUSAOV-UHFFFAOYSA-N
Canonic Smiles
BrC1CCCCC21OCCO2
Isomeric Smiles
C1COC2(O1)CCCCC2Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4422195
LogD (pH = 7.4)
2.4422195
Log P
2.4422195
Molar Refractivity
45.7826
Polarizability
18.232878
Polar Surface Area
18.46
Rotatable Bonds
0
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
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References
Bioactivity
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