Molecule

ID:8942

General Information
Structure
MolImage
Molecular Formula
C₃Cl₃F₅O
Molecular Mass
253.382516
Exact Mass
251.89348876
Charge
0
InChI
InChI=1S/C3Cl3F5O/c4-1(5,2(7,8)9)12-3(6,10)11
InChIKey
QPYZGZHEKIQPIC-UHFFFAOYSA-N
Canonic Smiles
FC(OC(C(F)(F)F)(Cl)Cl)(Cl)F
Isomeric Smiles
O(C(C(F)(F)F)(Cl)Cl)C(F)(Cl)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.21753
LogD (pH = 7.4)
4.21753
Log P
4.21753
Molar Refractivity
25.3044
Polarizability
12.926603
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
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Molecule Details
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References
Bioactivity
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