Molecule

ID:8199

General Information
Structure
MolImage
Molecular Formula
C₇H₂F₃N
Molecular Mass
157.0926896
Exact Mass
157.01393373
Charge
0
InChI
InChI=1S/C7H2F3N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
InChIKey
HTKFGTCCOJIUIK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)cc(cc1F)F
Isomeric Smiles
c1c(cc(c(c1F)C#N)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2574477
LogD (pH = 7.4)
2.2574477
Log P
2.2574477
Molar Refractivity
32.4288
Polarizability
11.494979
Polar Surface Area
23.79
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
References
Bioactivity
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