Molecule

ID:122859

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁BrO
Molecular Mass
179.05494
Exact Mass
177.99932697
Charge
0
InChI
InChI=1S/C6H11BrO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
InChIKey
MHNWCBOXPOLLIB-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCCCO1
Isomeric Smiles
O1C(CBr)CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8846678
LogD (pH = 7.4)
1.8846678
Log P
1.8846678
Molar Refractivity
37.1515
Polarizability
14.539238
Polar Surface Area
9.23
Rotatable Bonds
1
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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