Molecule

ID:6852

General Information
Structure
MolImage
Molecular Formula
C₈H₉Br
Molecular Mass
185.06106
Exact Mass
183.98876229
Charge
0
InChI
InChI=1S/C8H9Br/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChIKey
HVRUGFJYCAFAAN-UHFFFAOYSA-N
Canonic Smiles
CCc1ccccc1Br
Isomeric Smiles
c1ccc(c(c1)CC)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6999886
LogD (pH = 7.4)
3.6999886
Log P
3.6999886
Molar Refractivity
43.323
Polarizability
16.655815
Polar Surface Area
0.0
Rotatable Bonds
1
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
References
Bioactivity
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