Molecule
ID:73728
General Information
Molecular Formula
C₁₂H₂₃Br
Molecular Mass
247.21502
Exact Mass
246.09831274
Charge
0
InChI
InChI=1S/C12H23Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h2-11H2,1H3
InChIKey
VGENESRXYVZZFJ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC(=C)Br
Isomeric Smiles
BrC(=C)CCCCCCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.7401257
LogD (pH = 7.4)
5.7401257
Log P
5.7401257
Molar Refractivity
64.7465
Polarizability
25.178923
Polar Surface Area
0.0
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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