Molecule

ID:97544

General Information
Structure
Molecular Formula
C₈H₁₂Br₂ClF₃
Molecular Mass
360.4370896
Exact Mass
357.89463672
Charge
0
InChI
InChI=1S/C8H12Br2ClF3/c1-2-3-4-6(9)5-7(11,12)8(10,13)14/h6H,2-5H2,1H3
InChIKey
VHDQJFOCARQXPL-UHFFFAOYSA-N
Canonic Smiles
CCCCC(CC(C(Br)(F)F)(Cl)F)Br
Isomeric Smiles
FC(C(CC(CCCC)Br)(F)Cl)(F)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.5662737
LogD (pH = 7.4)
5.5662737
Log P
5.5662737
Molar Refractivity
59.5723
Polarizability
22.936735
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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