Molecule

ID:8943

General Information
Structure
MolImage
Molecular Formula
C₃HCl₂F₅O
Molecular Mass
218.937456
Exact Mass
217.93246111
Charge
0
InChI
InChI=1S/C3HCl2F5O/c4-2(5,3(8,9)10)11-1(6)7/h1H
InChIKey
BBYDKNMVRSODJU-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(F)(F)F)(Cl)Cl)F
Isomeric Smiles
O(C(C(F)(F)F)(Cl)Cl)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2679157
LogD (pH = 7.4)
3.2679157
Log P
3.2679157
Molar Refractivity
28.7062
Polarizability
10.930914
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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