Molecule

ID:69889

General Information
Structure
Molecular Formula
C₈H₉BrO
Molecular Mass
201.06046
Exact Mass
199.98367691
Charge
0
InChI
InChI=1S/C8H9BrO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey
WVUYYXUATWMVIT-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)Br
Isomeric Smiles
CCOc1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9411352
LogD (pH = 7.4)
2.9411352
Log P
2.9411352
Molar Refractivity
44.8926
Polarizability
17.4645
Polar Surface Area
9.23
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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