Molecule

ID:73739

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Br
Molecular Mass
211.09834
Exact Mass
210.00441235
Charge
0
InChI
InChI=1S/C10H11Br/c1-8(2)7-9-5-3-4-6-10(9)11/h3-6H,1,7H2,2H3
InChIKey
GDDZJVPXQFSMSV-UHFFFAOYSA-N
Canonic Smiles
CC(=C)Cc1ccccc1Br
Isomeric Smiles
Brc1c(cccc1)CC(=C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0839305
LogD (pH = 7.4)
4.0839305
Log P
4.0839305
Molar Refractivity
52.2501
Polarizability
20.131527
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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