Molecule

ID:80767

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅Br
Molecular Mass
227.1408
Exact Mass
226.03571248
Charge
0
InChI
InChI=1S/C11H15Br/c1-6-7(2)9(4)11(12)10(5)8(6)3/h1-5H3
InChIKey
XPDQRULPGCFCLX-UHFFFAOYSA-N
Canonic Smiles
Cc1c(C)c(C)c(c(c1C)Br)C
Isomeric Smiles
Brc1c(c(c(c(c1C)C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.3091054
LogD (pH = 7.4)
5.3091054
Log P
5.3091054
Molar Refractivity
58.8868
Polarizability
21.844198
Polar Surface Area
0.0
Rotatable Bonds
0
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
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References
Bioactivity
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