Molecule

ID:124269

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrO₂
Molecular Mass
251.07608
Exact Mass
249.96294146
Charge
0
InChI
InChI=1S/C11H7BrO2/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H,13,14)
InChIKey
SZFXXNVLSUTKJF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1cccc2Br
Isomeric Smiles
c12c(C(=O)O)cccc1c(Br)ccc2
Calculated Properties
JChem
Acid pKa
3.6183472
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5114024
LogD (pH = 7.4)
0.052509338
Log P
3.389058
Molar Refractivity
57.3872
Polarizability
22.882105
Polar Surface Area
37.3
Rotatable Bonds
1
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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