Molecule

ID:93806

General Information
Structure
MolImage
Molecular Formula
C₅HF₄N
Molecular Mass
151.0617528
Exact Mass
151.00451192
Charge
0
InChI
InChI=1S/C5HF4N/c6-2-1-3(7)10-5(9)4(2)8/h1H
InChIKey
NOQFPTRRIPJRMG-UHFFFAOYSA-N
Canonic Smiles
Fc1cc(F)c(c(n1)F)F
Isomeric Smiles
n1c(c(c(cc1F)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1142426
LogD (pH = 7.4)
2.1142426
Log P
2.1142426
Molar Refractivity
26.7961
Polarizability
8.883659
Polar Surface Area
12.89
Rotatable Bonds
0
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
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References
Bioactivity
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