Molecule

ID:94086

General Information
Structure
MolImage
Molecular Formula
C₈H₇Br₂F
Molecular Mass
281.9475832
Exact Mass
279.88985244
Charge
0
InChI
InChI=1S/C8H7Br2F/c9-4-6-2-1-3-7(5-10)8(6)11/h1-3H,4-5H2
InChIKey
LFPRPXHVBUBKOS-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1F)CBr
Isomeric Smiles
BrCc1cccc(c1F)CBr
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6614225
LogD (pH = 7.4)
3.6614225
Log P
3.6614225
Molar Refractivity
51.9752
Polarizability
19.468729
Polar Surface Area
0.0
Rotatable Bonds
2
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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