Molecule

ID:66130

General Information
Structure
MolImage
Molecular Formula
C₇HF₇
Molecular Mass
218.0716624
Exact Mass
217.99664757
Charge
0
InChI
InChI=1S/C7HF7/c8-2-1(7(13)14)3(9)5(11)6(12)4(2)10/h7H
InChIKey
AJNDNWYVKZRHBE-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(C(F)F)c(c(c1F)F)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)C(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0758436
LogD (pH = 7.4)
3.0758436
Log P
3.0758436
Molar Refractivity
32.224
Polarizability
11.438927
Polar Surface Area
0.0
Rotatable Bonds
1
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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