Molecule

ID:10301

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₃N₂
Molecular Mass
162.1125096
Exact Mass
162.04048283
Charge
0
InChI
InChI=1S/C6H5F3N2/c7-6(8,9)4-3-11-2-1-5(4)10/h1-3H,(H2,10,11)
InChIKey
DYAGVPKVELUYPJ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccncc1C(F)(F)F
Isomeric Smiles
c1cncc(c1N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1693013
LogD (pH = 7.4)
0.25310186
Log P
0.80449593
Molar Refractivity
34.5752
Polarizability
11.892672
Polar Surface Area
38.91
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
References
Bioactivity
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