Molecule

ID:8059

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₄
Molecular Mass
164.1002728
Exact Mass
164.02491301
Charge
0
InChI
InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3
InChIKey
POMGTQLCZJZYAM-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(c1F)C)F
Isomeric Smiles
c1(c(c(cc(c1F)F)F)F)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.0574749
LogD (pH = 7.4)
3.0574749
Log P
3.0574749
Molar Refractivity
31.9648
Polarizability
11.263674
Polar Surface Area
0.0
Rotatable Bonds
0
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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