Molecule

ID:98342

General Information
Structure
Molecular Formula
C₆H₂F₅N
Molecular Mass
183.078796
Exact Mass
183.01074017
Charge
0
InChI
InChI=1S/C6H2F5N/c7-3-1-2-4(6(9,10)11)12-5(3)8/h1-2H
InChIKey
RMLBNMVDMAZSKR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(nc1F)C(F)(F)F
Isomeric Smiles
n1c(c(ccc1C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6986067
LogD (pH = 7.4)
2.6986067
Log P
2.6986067
Molar Refractivity
30.9503
Polarizability
10.696307
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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