Molecule

ID:100378

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆BrF
Molecular Mass
225.0570432
Exact Mass
223.96369041
Charge
0
InChI
InChI=1S/C10H6BrF/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6H
InChIKey
ZYBZDDMAAQTLEV-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1cccc2Br
Isomeric Smiles
Brc1cccc2c(cccc12)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8741772
LogD (pH = 7.4)
3.8741772
Log P
3.8741772
Molar Refractivity
50.3474
Polarizability
20.20389
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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