Molecule

ID:112427

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅Br
Molecular Mass
249.2309
Exact Mass
248.1139628
Charge
0
InChI
InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3
InChIKey
GIUUCQVKMWBSRT-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(Br)C
Isomeric Smiles
CCCCCCCCCCC(C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.873965
LogD (pH = 7.4)
5.873965
Log P
5.873965
Molar Refractivity
64.7952
Polarizability
25.409313
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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