Molecule

ID:82019

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁Br
Molecular Mass
281.23124
Exact Mass
280.08266267
Charge
0
InChI
InChI=1S/C15H21Br/c1-14(2)7-8-15(3,4)13-9-11(10-16)5-6-12(13)14/h5-6,9H,7-8,10H2,1-4H3
InChIKey
YRSSLQXZDTXEBD-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc2c(c1)C(C)(C)CCC2(C)C
Isomeric Smiles
BrCc1cc2c(cc1)C(CCC2(C)C)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.37237
LogD (pH = 7.4)
5.37237
Log P
5.37237
Molar Refractivity
74.438
Polarizability
28.578066
Polar Surface Area
0.0
Rotatable Bonds
1
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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