Molecule

ID:92651

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁Br
Molecular Mass
281.23124
Exact Mass
280.08266267
Charge
0
InChI
InChI=1S/C15H21Br/c1-10-8-11-12(9-13(10)16)15(4,5)7-6-14(11,2)3/h8-9H,6-7H2,1-5H3
InChIKey
ONNHBALCPUEXBT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc2c(cc1Br)C(C)(C)CCC2(C)C
Isomeric Smiles
Brc1cc2c(cc1C)C(C)(C)CCC2(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.8818064
LogD (pH = 7.4)
5.8818064
Log P
5.8818064
Molar Refractivity
74.2516
Polarizability
28.602516
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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