Molecule

ID:76745

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrO₃
Molecular Mass
207.02198
Exact Mass
205.95785608
Charge
0
InChI
InChI=1S/C6H7BrO3/c1-6(2)4(3-7)9-5(8)10-6/h3H,1-2H3
InChIKey
SLWVGAOIRONSFA-UHFFFAOYSA-N
Canonic Smiles
Br/C=C\1/OC(=O)OC1(C)C
Isomeric Smiles
O1C(=O)OC(/C/1=C\Br)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7695775
LogD (pH = 7.4)
1.7695775
Log P
1.7695775
Molar Refractivity
38.5067
Polarizability
15.293531
Polar Surface Area
35.53
Rotatable Bonds
0
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
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References
Bioactivity
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