Molecule

ID:8155

General Information
Structure
Molecular Formula
C₇H₂F₃N
Molecular Mass
157.0926896
Exact Mass
157.01393373
Charge
0
InChI
InChI=1S/C7H2F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H
InChIKey
YWTXHALVWAISPR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)ccc(c1F)F
Isomeric Smiles
c1cc(c(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
11.494051
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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