Molecule

ID:94041

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₃F₃
Molecular Mass
263.4715696
Exact Mass
261.93306783
Charge
0
InChI
InChI=1S/C8H4Cl3F3/c9-7(10,11)5-2-1-3-6(4-5)8(12,13)14/h1-4H
InChIKey
SKWWCKGHUDPXOZ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cccc(c1)C(Cl)(Cl)Cl)(F)F
Isomeric Smiles
FC(c1cc(ccc1)C(Cl)(Cl)Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3490024
LogD (pH = 7.4)
4.3490024
Log P
4.3490024
Molar Refractivity
52.5098
Polarizability
19.172718
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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