Molecule

ID:94162

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Br₂ClF₃
Molecular Mass
358.4212096
Exact Mass
355.87898666
Charge
0
InChI
InChI=1S/C8H10Br2ClF3/c9-6-4-2-1-3-5(6)7(11,12)8(10,13)14/h5-6H,1-4H2
InChIKey
KVDWIHTZFHVBDS-UHFFFAOYSA-N
Canonic Smiles
BrC1CCCCC1C(C(Br)(F)F)(Cl)F
Isomeric Smiles
ClC(C1CCCCC1Br)(C(F)(F)Br)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.0321307
LogD (pH = 7.4)
5.0321307
Log P
5.0321307
Molar Refractivity
57.7923
Polarizability
22.290192
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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