Molecule

ID:8934

General Information
Structure
Molecular Formula
C₄H₂Cl₂F₆
Molecular Mass
234.9550992
Exact Mass
233.94377474
Charge
0
InChI
InChI=1S/C4H2Cl2F6/c5-1(3(7,8)9)2(6)4(10,11)12/h1-2H
InChIKey
DRNMSWBRUAIIJO-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)C(C(F)(F)F)Cl
Isomeric Smiles
C(C(C(C(F)(F)F)Cl)Cl)(F)(F)F
Calculated Properties
JChem
Acid pKa
19.00286
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5302312
LogD (pH = 7.4)
3.5302312
Log P
3.5302312
Molar Refractivity
30.8962
Polarizability
11.844169
Polar Surface Area
0.0
Rotatable Bonds
3
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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