Molecule

ID:42274

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO₃
Molecular Mass
259.09654
Exact Mass
257.98915621
Charge
0
InChI
InChI=1S/C10H11BrO3/c1-6-4-7(11)5-8(9(6)13-2)10(12)14-3/h4-5H,1-3H3
InChIKey
VZOOZLRJMORZTC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Br)cc(c1OC)C
Isomeric Smiles
c1(c(c(cc(c1)Br)C)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1012256
LogD (pH = 7.4)
3.1012256
Log P
3.1012256
Molar Refractivity
57.2105
Polarizability
21.92586
Polar Surface Area
35.53
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
No Data Available
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Molecule Details
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References
Bioactivity
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