Molecule

ID:10163

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)5-2-1-4(10)3-11-5/h1-3H,10H2
InChIKey
IBOZOWZSXZNIHI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)C(F)(F)F
Isomeric Smiles
c1c(ncc(c1)N)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1901915
LogD (pH = 7.4)
1.1903443
Log P
1.1903462
Molar Refractivity
34.2032
Polarizability
11.8987255
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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