Molecule

ID:73752

General Information
Structure
Molecular Formula
C₁₀H₁₁Br
Molecular Mass
211.09834
Exact Mass
210.00441235
Charge
0
InChI
InChI=1S/C10H11Br/c1-2-3-4-9-5-7-10(11)8-6-9/h2,5-8H,1,3-4H2
InChIKey
QDNBBDYPPSSRTB-UHFFFAOYSA-N
Canonic Smiles
C=CCCc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)CCC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.2851377
LogD (pH = 7.4)
4.2851377
Log P
4.2851377
Molar Refractivity
52.5691
Polarizability
20.05866
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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