Molecule

ID:98343

General Information
Structure
MolImage
Molecular Formula
C₄Cl₅F₅
Molecular Mass
320.299816
Exact Mass
317.8362795
Charge
0
InChI
InChI=1S/C4Cl5F5/c5-1(10,4(9,13)14)2(11,12)3(6,7)8
InChIKey
QXPPGHDQTVKTDY-UHFFFAOYSA-N
Canonic Smiles
ClC(C(C(C(Cl)(F)F)(Cl)F)(F)F)(Cl)Cl
Isomeric Smiles
ClC(C(C(C(F)(F)Cl)(Cl)F)(F)F)(Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.7431765
LogD (pH = 7.4)
4.7431765
Log P
4.7431765
Molar Refractivity
46.4629
Polarizability
17.721619
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
No Data Available
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Molecule Details
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References
Bioactivity
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