Molecule

ID:89425

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrO
Molecular Mass
185.018
Exact Mass
183.95237678
Charge
0
InChI
InChI=1S/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5H
InChIKey
ZRYZBQLXDKPBDU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Br
Isomeric Smiles
O=Cc1ccc(cc1)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4545007
LogD (pH = 7.4)
2.4545007
Log P
2.4545007
Molar Refractivity
40.2648
Polarizability
15.051691
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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