Molecule

ID:64979

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅BrO₂
Molecular Mass
235.1182
Exact Mass
234.02554172
Charge
0
InChI
InChI=1S/C9H15BrO2/c10-8-4-2-1-3-5-9(8)11-6-7-12-9/h8H,1-7H2
InChIKey
CUPUHWFXOULUCT-UHFFFAOYSA-N
Canonic Smiles
BrC1CCCCCC21OCCO2
Isomeric Smiles
C1C2(C(CCCC1)Br)OCCO2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8867881
LogD (pH = 7.4)
2.8867881
Log P
2.8867881
Molar Refractivity
50.3836
Polarizability
20.035624
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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