Molecule

ID:91939

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrO₃
Molecular Mass
219.03268
Exact Mass
217.95785608
Charge
0
InChI
InChI=1S/C7H7BrO3/c1-10-7(9)5-2-3-11-6(5)4-8/h2-3H,4H2,1H3
InChIKey
SOPVGIIHUGGHGO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccoc1CBr
Isomeric Smiles
o1ccc(c1CBr)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8097068
LogD (pH = 7.4)
1.8097068
Log P
1.8097068
Molar Refractivity
43.3246
Polarizability
16.449385
Polar Surface Area
39.44
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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