Molecule

ID:76055

General Information
Structure
MolImage
Molecular Formula
C₅H₅BrO
Molecular Mass
160.9966
Exact Mass
159.95237678
Charge
0
InChI
InChI=1S/C5H5BrO/c1-4-5(6)2-3-7-4/h2-3H,1H3
InChIKey
VRMMZSVAKYRZAB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccoc1C
Isomeric Smiles
o1ccc(c1C)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0818052
LogD (pH = 7.4)
2.0818052
Log P
2.0818052
Molar Refractivity
31.3439
Polarizability
11.923292
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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