Molecule

ID:8723

General Information
Structure
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Molecular Formula
C₄H₈Br₂O
Molecular Mass
231.91372
Exact Mass
229.89418888
Charge
0
InChI
InChI=1S/C4H8Br2O/c5-1-3-7-4-2-6/h1-4H2
InChIKey
FOZVXADQAHVUSV-UHFFFAOYSA-N
Canonic Smiles
BrCCOCCBr
Isomeric Smiles
BrCCOCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8245196
LogD (pH = 7.4)
1.8245196
Log P
1.8245196
Molar Refractivity
37.6661
Polarizability
14.743146
Polar Surface Area
9.23
Rotatable Bonds
4
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
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Molecule Details
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References
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Bioactivity
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