Molecule

ID:132093

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁BrO₂
Molecular Mass
195.05434
Exact Mass
193.99424159
Charge
0
InChI
InChI=1S/C6H11BrO2/c7-3-2-6-8-4-1-5-9-6/h6H,1-5H2
InChIKey
WMDHQEHPOVOEOG-UHFFFAOYSA-N
Canonic Smiles
BrCCC1OCCCO1
Isomeric Smiles
C1COC(OC1)CCBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.412175
LogD (pH = 7.4)
1.412175
Log P
1.412175
Molar Refractivity
38.4686
Polarizability
15.323789
Polar Surface Area
18.46
Rotatable Bonds
2
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
References
Bioactivity
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