Molecule

ID:6908

General Information
Structure
Molecular Formula
C₆H₁₀BrF
Molecular Mass
181.0460032
Exact Mass
179.99499054
Charge
0
InChI
InChI=1S/C6H10BrF/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2
InChIKey
AZQRVGXSORXOCR-UHFFFAOYSA-N
Canonic Smiles
FC1CCCCC1Br
Isomeric Smiles
C1CCC(C(C1)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6369689
LogD (pH = 7.4)
2.6369689
Log P
2.6369689
Molar Refractivity
34.9794
Polarizability
13.658427
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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