Molecule
ID:124757
General Information
Molecular Formula
C₁₁H₈BrFO₂
Molecular Mass
271.0824232
Exact Mass
269.96916972
Charge
0
InChI
InChI=1S/C11H8BrFO2/c1-6-8-4-7(13)2-3-10(8)15-11(6)9(14)5-12/h2-4H,5H2,1H3
InChIKey
JNEHXVCCZXTQLT-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1oc2c(c1C)cc(cc2)F
Isomeric Smiles
c1(c(c2c(o1)ccc(c2)F)C)C(=O)CBr
Calculated Properties
JChem
Acid pKa
13.946583
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9889803
LogD (pH = 7.4)
2.98898
Log P
2.9889803
Molar Refractivity
58.1737
Polarizability
22.661884
Polar Surface Area
30.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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