Molecule

ID:107890

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅Br
Molecular Mass
249.2309
Exact Mass
248.1139628
Charge
0
InChI
InChI=1S/C12H25Br/c1-2-3-4-5-6-7-8-9-10-11-12-13/h2-12H2,1H3
InChIKey
PBLNBZIONSLZBU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCBr
Isomeric Smiles
CCCCCCCCCCCCBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.9019585
LogD (pH = 7.4)
5.9019585
Log P
5.9019585
Molar Refractivity
64.9774
Polarizability
25.407633
Polar Surface Area
0.0
Rotatable Bonds
10
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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