Molecule

ID:6602

General Information
Structure
Molecular Formula
C₇H₁₀Br₂F₂
Molecular Mass
291.9591064
Exact Mass
289.91173076
Charge
0
InChI
InChI=1S/C7H10Br2F2/c8-6-4-2-1-3-5(6)7(9,10)11/h5-6H,1-4H2
InChIKey
MWCUYVZBWZWWKO-UHFFFAOYSA-N
Canonic Smiles
BrC1CCCCC1C(Br)(F)F
Isomeric Smiles
C1CCC(C(C1)Br)C(F)(F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5525274
LogD (pH = 7.4)
3.5525274
Log P
3.5525274
Molar Refractivity
48.2058
Polarizability
18.54477
Polar Surface Area
0.0
Rotatable Bonds
1
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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