Molecule
ID:68519
General Information
Molecular Formula
C₆H₅F₃N₂
Molecular Mass
162.1125096
Exact Mass
162.04048283
Charge
0
InChI
InChI=1S/C6H5F3N2/c7-6(8,9)4-1-5(10)3-11-2-4/h1-3H,10H2
InChIKey
NJFRBMFEAGFNDC-UHFFFAOYSA-N
Canonic Smiles
FC(c1cncc(c1)N)(F)F
Isomeric Smiles
c1c(cc(cn1)C(F)(F)F)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7551282
LogD (pH = 7.4)
0.8038291
Log P
0.80449593
Molar Refractivity
34.5752
Polarizability
11.895878
Polar Surface Area
38.91
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
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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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