Molecule

ID:93547

General Information
Structure
MolImage
Molecular Formula
C₄ClF₉
Molecular Mass
254.4814288
Exact Mass
253.95448166
Charge
0
InChI
InChI=1S/C4ClF9/c5-1(2(6,7)8,3(9,10)11)4(12,13)14
InChIKey
SHPWBDPPMAFZLV-UHFFFAOYSA-N
Canonic Smiles
ClC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Isomeric Smiles
ClC(C(F)(F)F)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6848392
LogD (pH = 7.4)
3.6848392
Log P
3.6848392
Molar Refractivity
27.2224
Polarizability
10.34963
Polar Surface Area
0.0
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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