Molecule

ID:99818

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrF₂
Molecular Mass
207.0154064
Exact Mass
205.9542686
Charge
0
InChI
InChI=1S/C7H5BrF2/c1-4-6(9)3-2-5(8)7(4)10/h2-3H,1H3
InChIKey
AISIRIFPPGLTCY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1C)F)Br
Isomeric Smiles
Brc1ccc(c(c1F)C)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5408237
LogD (pH = 7.4)
3.5408237
Log P
3.5408237
Molar Refractivity
39.1548
Polarizability
14.574833
Polar Surface Area
0.0
Rotatable Bonds
0
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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