Molecule

ID:66195

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₅N
Molecular Mass
183.078796
Exact Mass
183.01074017
Charge
0
InChI
InChI=1S/C6H2F5N/c7-3-1-2(5(9)10)4(8)6(11)12-3/h1,5H
InChIKey
GLOPHCULLXILBW-UHFFFAOYSA-N
Canonic Smiles
Fc1nc(F)c(c(c1)C(F)F)F
Isomeric Smiles
c1(c(c(cc(n1)F)C(F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3606286
LogD (pH = 7.4)
2.3606286
Log P
2.3606286
Molar Refractivity
31.6637
Polarizability
10.663995
Polar Surface Area
12.89
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
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Molecule Details
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References
Bioactivity
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