Molecule

ID:66213

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₄N
Molecular Mass
165.0883328
Exact Mass
165.02016198
Charge
0
InChI
InChI=1S/C6H3F4N/c7-3-1-2-4(8)11-5(3)6(9)10/h1-2,6H
InChIKey
QIMRMWXRNIWBEX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)C(F)F)F
Isomeric Smiles
c1(c(ccc(n1)F)F)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.980952
LogD (pH = 7.4)
1.980952
Log P
1.980952
Molar Refractivity
30.0789
Polarizability
10.651397
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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