Molecule

ID:10599

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂F₄
Molecular Mass
247.0169728
Exact Mass
245.96261837
Charge
0
InChI
InChI=1S/C8H4Cl2F4/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2
InChIKey
WEUAASLFNKTIIM-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(F)c(F)c(c(c1F)F)CCl
Isomeric Smiles
c1(c(c(c(c(c1F)CCl)F)F)CCl)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7185378
LogD (pH = 7.4)
3.7185378
Log P
3.7185378
Molar Refractivity
46.6574
Polarizability
17.024195
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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