Molecule

ID:91991

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Br
Molecular Mass
269.22054
Exact Mass
268.08266267
Charge
0
InChI
InChI=1S/C14H21Br/c15-13-9-4-2-1-3-6-10-14-11-7-5-8-12-14/h5,7-8,11-12H,1-4,6,9-10,13H2
InChIKey
XGBMCFCZEKCCDJ-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCc1ccccc1
Isomeric Smiles
BrCCCCCCCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.7020564
LogD (pH = 7.4)
5.7020564
Log P
5.7020564
Molar Refractivity
71.2694
Polarizability
27.543816
Polar Surface Area
0.0
Rotatable Bonds
8
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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