Molecule

ID:94835

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrFO₃
Molecular Mass
289.0977032
Exact Mass
287.9797344
Charge
0
InChI
InChI=1S/C11H10BrFO3/c1-2-16-10(15)11(12,13)9(14)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey
GCOHYTBAQVEMLX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)c1ccccc1)(Br)F
Isomeric Smiles
O=C(c1ccccc1)C(Br)(C(=O)OCC)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8134367
LogD (pH = 7.4)
2.8134367
Log P
2.8134367
Molar Refractivity
60.1765
Polarizability
23.036785
Polar Surface Area
43.37
Rotatable Bonds
5
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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