Molecule

ID:8136

General Information
Structure
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Molecular Formula
C₆H₄F₃N
Molecular Mass
147.0978696
Exact Mass
147.02958379
Charge
0
InChI
InChI=1S/C6H4F3N/c7-3-1-2-4(10)6(9)5(3)8/h1-2H,10H2
InChIKey
WRDGNXCXTDDYBZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1F)F)F
Isomeric Smiles
Fc1ccc(c(c1F)F)N
Calculated Properties
JChem
Acid pKa
18.274096
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.5724075
LogD (pH = 7.4)
1.5724255
Log P
1.5724257
Molar Refractivity
31.4076
Polarizability
10.80008
Polar Surface Area
26.02
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
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Molecule Details
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References
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Bioactivity
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