Molecule
ID:96855
General Information
Molecular Formula
C₇H₅Br₂F
Molecular Mass
267.9210032
Exact Mass
265.87420238
Charge
0
InChI
InChI=1S/C7H5Br2F/c8-7(9)5-3-1-2-4-6(5)10/h1-4,7H
InChIKey
NSNGJCDLAMBUKZ-UHFFFAOYSA-N
Canonic Smiles
BrC(c1ccccc1F)Br
Isomeric Smiles
BrC(c1c(cccc1)F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9580572
LogD (pH = 7.4)
2.9580572
Log P
2.9580572
Molar Refractivity
46.8286
Polarizability
17.721289
Polar Surface Area
0.0
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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