Molecule

ID:26106

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉BrO₄
Molecular Mass
273.08006
Exact Mass
271.96842077
Charge
0
InChI
InChI=1S/C10H9BrO4/c1-6(13)15-10-8(11)3-7(5-12)4-9(10)14-2/h3-5H,1-2H3
InChIKey
SXSITNPVULYEFB-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)c(c(c1)OC)OC(=O)C
Isomeric Smiles
c1(c(cc(cc1OC)C=O)Br)OC(=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9040905
LogD (pH = 7.4)
1.9040905
Log P
1.9040905
Molar Refractivity
57.8604
Polarizability
22.169659
Polar Surface Area
52.6
Rotatable Bonds
4
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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