Molecule

ID:79456

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Br
Molecular Mass
241.16738
Exact Mass
240.05136254
Charge
0
InChI
InChI=1S/C12H17Br/c1-2-3-4-5-6-11-7-9-12(13)10-8-11/h7-10H,2-6H2,1H3
InChIKey
MXHOLIARBWJKCR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)CCCCCC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.4782634
LogD (pH = 7.4)
5.4782634
Log P
5.4782634
Molar Refractivity
61.727
Polarizability
23.970486
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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