Molecule

ID:32082

General Information
Structure
MolImage
Molecular Formula
C₈H₅ClF₄
Molecular Mass
212.5719128
Exact Mass
212.00159072
Charge
0
InChI
InChI=1S/C8H5ClF4/c1-8(12,13)6-5(10)3-2-4(9)7(6)11/h2-3H,1H3
InChIKey
ADRKRNUFDDYXGA-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1C(F)(F)C)F)Cl
Isomeric Smiles
c1(c(c(c(cc1)Cl)F)C(C)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.499845
LogD (pH = 7.4)
3.499845
Log P
3.499845
Molar Refractivity
41.4014
Polarizability
15.16559
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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