Molecule

ID:66192

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₃N
Molecular Mass
147.0978696
Exact Mass
147.02958379
Charge
0
InChI
InChI=1S/C6H4F3N/c7-5-1-4(6(8)9)2-10-3-5/h1-3,6H
InChIKey
KRFIQWCTWWRYLT-UHFFFAOYSA-N
Canonic Smiles
Fc1cncc(c1)C(F)F
Isomeric Smiles
c1c(cc(cn1)F)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.287252
LogD (pH = 7.4)
1.2873619
Log P
1.2873633
Molar Refractivity
29.2015
Polarizability
10.683562
Polar Surface Area
12.89
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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