Molecule

ID:6753

General Information
Structure
MolImage
Molecular Formula
C₆Cl₅F₉
Molecular Mass
420.3148288
Exact Mass
417.82989238
Charge
0
InChI
InChI=1S/C6Cl5F9/c7-1(12,4(16,17)5(9,10)18)3(14,15)2(8,13)6(11,19)20
InChIKey
DVAVTWDOWVBESE-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(Cl)(Cl)F)(F)F)(Cl)F)(F)F)(C(Cl)(F)F)Cl
Isomeric Smiles
C(C(C(C(F)(C(C(Cl)(F)Cl)(F)F)Cl)(F)F)(F)Cl)(Cl)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.3712025
LogD (pH = 7.4)
6.3712025
Log P
6.3712025
Molar Refractivity
55.8826
Polarizability
21.4479
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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