Molecule

ID:57381

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrO₃
Molecular Mass
267.07548
Exact Mass
265.95785608
Charge
0
InChI
InChI=1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
InChIKey
NTYOLVNSXVYRTJ-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1cc2ccccc2oc1=O
Isomeric Smiles
c1ccc2c(c1)cc(c(=O)o2)C(=O)CBr
Calculated Properties
JChem
Acid pKa
16.42349
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4230673
LogD (pH = 7.4)
2.4230673
Log P
2.4230673
Molar Refractivity
58.9107
Polarizability
22.25542
Polar Surface Area
43.37
Rotatable Bonds
2
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
References
Bioactivity
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