Molecule

ID:110267

General Information
Structure
MolImage
Molecular Formula
C₈H₉Br
Molecular Mass
185.06106
Exact Mass
183.98876229
Charge
0
InChI
InChI=1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKey
WMPPDTMATNBGJN-UHFFFAOYSA-N
Canonic Smiles
BrCCc1ccccc1
Isomeric Smiles
BrCCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0346444
LogD (pH = 7.4)
3.0346444
Log P
3.0346444
Molar Refractivity
43.6634
Polarizability
16.560854
Polar Surface Area
0.0
Rotatable Bonds
2
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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