Molecule

ID:90166

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁Br
Molecular Mass
175.06624
Exact Mass
174.00441235
Charge
0
InChI
InChI=1S/C7H11Br/c8-7-5-3-1-2-4-6-7/h5H,1-4,6H2
InChIKey
VYAZDEWSYBZNPG-UHFFFAOYSA-N
Canonic Smiles
BrC1=CCCCCC1
Isomeric Smiles
BrC1=CCCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9956226
LogD (pH = 7.4)
2.9956226
Log P
2.9956226
Molar Refractivity
41.0118
Polarizability
15.336089
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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