Molecule

ID:98977

General Information
Structure
MolImage
Molecular Formula
C₄H₄Cl₂F₄
Molecular Mass
198.9741728
Exact Mass
197.96261837
Charge
0
InChI
InChI=1S/C4H4Cl2F4/c1-3(6,7)2(5)4(8,9)10/h2H,1H3
InChIKey
XNTBVWMRVVAYGK-UHFFFAOYSA-N
Canonic Smiles
ClC(C(Cl)(F)C)C(F)(F)F
Isomeric Smiles
FC(C(C(F)(F)F)Cl)(Cl)C
Calculated Properties
JChem
Acid pKa
18.244913
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9987037
LogD (pH = 7.4)
2.9987037
Log P
2.9987037
Molar Refractivity
30.9333
Polarizability
11.6606455
Polar Surface Area
0.0
Rotatable Bonds
2
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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