Molecule

ID:99400

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrF₂
Molecular Mass
207.0154064
Exact Mass
205.9542686
Charge
0
InChI
InChI=1S/C7H5BrF2/c1-4-5(8)2-3-6(9)7(4)10/h2-3H,1H3
InChIKey
YXTCBTSPHSNDHD-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1C)F)F
Isomeric Smiles
Brc1c(c(c(cc1)F)F)C
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
14.566794
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
No Data Available
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Molecule Details
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References
Bioactivity
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