Molecule

ID:7969

General Information
Structure
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Molecular Formula
C₇H₄F₄
Molecular Mass
164.1002728
Exact Mass
164.02491301
Charge
0
InChI
InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H
InChIKey
UNNNAIWPDLRVRN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(F)(F)F
Isomeric Smiles
Fc1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9937963
LogD (pH = 7.4)
2.9937963
Log P
2.9937963
Molar Refractivity
32.2481
Polarizability
11.403848
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
No Data Available
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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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