Molecule

ID:58858

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₅N
Molecular Mass
183.078796
Exact Mass
183.01074017
Charge
0
InChI
InChI=1S/C6H2F5N/c7-4-2-1-3(5(8)12-4)6(9,10)11/h1-2H
InChIKey
XQOSKGHWFHZLCZ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(n1)F)C(F)(F)F
Isomeric Smiles
c1(c(ccc(n1)F)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.706687
LogD (pH = 7.4)
2.706687
Log P
2.706687
Molar Refractivity
32.337
Polarizability
10.694983
Polar Surface Area
12.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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