Molecule

ID:75044

General Information
Structure
MolImage
Molecular Formula
C₈H₇BrO₂
Molecular Mass
215.04398
Exact Mass
213.96294146
Charge
0
InChI
InChI=1S/C8H7BrO2/c1-6(10)11-8-4-2-7(9)3-5-8/h2-5H,1H3
InChIKey
XEXHCQJRVMVJMY-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)OC(=O)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3492594
LogD (pH = 7.4)
2.3492594
Log P
2.3492594
Molar Refractivity
44.8132
Polarizability
17.628864
Polar Surface Area
26.3
Rotatable Bonds
2
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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