Molecule

ID:90093

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO₄
Molecular Mass
275.09594
Exact Mass
273.98407083
Charge
0
InChI
InChI=1S/C10H11BrO4/c1-13-7-4-6(10(12)15-3)5-8(14-2)9(7)11/h4-5H,1-3H3
InChIKey
DBPNSECLVZPWET-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC)c(c(c1)OC)Br
Isomeric Smiles
Brc1c(cc(cc1OC)C(=O)OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4301329
LogD (pH = 7.4)
2.4301329
Log P
2.4301329
Molar Refractivity
58.6325
Polarizability
22.764746
Polar Surface Area
44.76
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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