Molecule

ID:9401

General Information
Structure
MolImage
Molecular Formula
C₃Cl₂F₆O
Molecular Mass
236.9279192
Exact Mass
235.9230393
Charge
0
InChI
InChI=1S/C3Cl2F6O/c4-1(6,7)2(5,8)12-3(9,10)11
InChIKey
PIHHZNWHYDIJIP-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(Cl)(F)F)(Cl)F)(F)F
Isomeric Smiles
O(C(C(F)(Cl)F)(F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9299405
LogD (pH = 7.4)
3.9299405
Log P
3.9299405
Molar Refractivity
25.3044
Polarizability
11.072968
Polar Surface Area
9.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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