Molecule

ID:98142

General Information
Structure
MolImage
Molecular Formula
C₅ClF₇
Molecular Mass
228.4953224
Exact Mass
227.95767522
Charge
0
InChI
InChI=1S/C5ClF7/c6-1-2(7)4(10,11)5(12,13)3(1,8)9
InChIKey
XUMFLKOMBYRBCK-UHFFFAOYSA-N
Canonic Smiles
FC1=C(Cl)C(C(C1(F)F)(F)F)(F)F
Isomeric Smiles
FC1(F)C(=C(Cl)C(C1(F)F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.6413274
LogD (pH = 7.4)
2.6413274
Log P
2.6413274
Molar Refractivity
29.1666
Polarizability
10.795231
Polar Surface Area
0.0
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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