Molecule
ID:93399
General Information
Molecular Formula
C₇H₃Br₂FO₂
Molecular Mass
297.9039232
Exact Mass
295.84838156
Charge
0
InChI
InChI=1S/C7H3Br2FO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,(H,11,12)
InChIKey
RAGHPDYPAYDOJH-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c(c(c1)Br)C(=O)O
Isomeric Smiles
OC(=O)c1c(cc(cc1F)Br)Br
Calculated Properties
JChem
Acid pKa
2.4359744
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37452385
LogD (pH = 7.4)
-0.20275582
Log P
3.3110359
Molar Refractivity
48.7762
Polarizability
18.704199
Polar Surface Area
37.3
Rotatable Bonds
1
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
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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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