Molecule
ID:9548
General Information
Molecular Formula
C₇Cl₃F₅
Molecular Mass
285.425916
Exact Mass
283.89857414
Charge
0
InChI
InChI=1S/C7Cl3F5/c8-7(9,10)1-2(11)4(13)6(15)5(14)3(1)12
InChIKey
VYXYRHITHKKNMG-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)C(Cl)(Cl)Cl)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)C(Cl)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.184664
LogD (pH = 7.4)
4.184664
Log P
4.184664
Molar Refractivity
47.6181
Polarizability
17.27842
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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