Molecule

ID:83329

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrO₂
Molecular Mass
243.09714
Exact Mass
241.99424159
Charge
0
InChI
InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-5-3-4-6-9(8)11/h3-6H,2,7H2,1H3
InChIKey
MZQXAVZPEZUJIJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccccc1Br
Isomeric Smiles
O=C(Cc1c(cccc1)Br)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8824487
LogD (pH = 7.4)
2.8824487
Log P
2.8824487
Molar Refractivity
54.5061
Polarizability
21.267633
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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