Molecule

ID:6608

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)4-1-2-5(10)11-3-4/h1-3H,(H2,10,11)
InChIKey
RSGVKIIEIXOMPY-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cn1)C(F)(F)F
Isomeric Smiles
c1(cnc(cc1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0344614
LogD (pH = 7.4)
1.3915039
Log P
1.3989534
Molar Refractivity
34.8887
Polarizability
11.89563
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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