Molecule

ID:109416

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄Br₂
Molecular Mass
257.99406
Exact Mass
255.94622445
Charge
0
InChI
InChI=1S/C7H14Br2/c1-3-7(4-2,5-8)6-9/h3-6H2,1-2H3
InChIKey
ZIQNZEFIQWBNHV-UHFFFAOYSA-N
Canonic Smiles
CCC(CBr)(CBr)CC
Isomeric Smiles
CCC(CC)(CBr)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7922673
LogD (pH = 7.4)
3.7922673
Log P
3.7922673
Molar Refractivity
49.4493
Polarizability
19.227707
Polar Surface Area
0.0
Rotatable Bonds
4
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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