Molecule

ID:8056

General Information
Structure
MolImage
Molecular Formula
C₇HF₇
Molecular Mass
218.0716624
Exact Mass
217.99664757
Charge
0
InChI
InChI=1S/C7HF7/c8-2-1-3(9)6(11)4(5(2)10)7(12,13)14/h1H
InChIKey
ZVPAJILXQHMKMT-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)C(F)(F)F)F
Isomeric Smiles
C(F)(F)(F)c1c(F)c(F)cc(c1F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.421902
LogD (pH = 7.4)
3.421902
Log P
3.421902
Molar Refractivity
32.8973
Polarizability
11.470783
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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