Molecule

ID:112300

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₇Br
Molecular Mass
263.25748
Exact Mass
262.12961286
Charge
0
InChI
InChI=1S/C13H27Br/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h13H,3-12H2,1-2H3
InChIKey
XNCUZDYTCKIDEJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(Br)C
Isomeric Smiles
CCCCCCCCCCCC(C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.3185334
LogD (pH = 7.4)
6.3185334
Log P
6.3185334
Molar Refractivity
69.3962
Polarizability
27.243204
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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