Molecule

ID:94876

General Information
Structure
MolImage
Molecular Formula
C₆HF₃N₂
Molecular Mass
158.0807496
Exact Mass
158.0091827
Charge
0
InChI
InChI=1S/C6HF3N2/c7-4-1-3(2-10)5(8)11-6(4)9/h1H
InChIKey
SSRFMDDZODUAJG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)c(nc1F)F
Isomeric Smiles
n1c(c(cc(c1F)F)C#N)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8276367
LogD (pH = 7.4)
1.8276367
Log P
1.8276367
Molar Refractivity
32.3013
Polarizability
10.749837
Polar Surface Area
36.68
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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