Molecule

ID:94254

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₅N
Molecular Mass
207.100196
Exact Mass
207.01074017
Charge
0
InChI
InChI=1S/C8H2F5N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H
InChIKey
QODCSKFZMRDUMK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(F)c(F)ccc1C(F)(F)F
Isomeric Smiles
FC(c1ccc(c(c1C#N)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.9925942
LogD (pH = 7.4)
2.9925942
Log P
2.9925942
Molar Refractivity
38.1861
Polarizability
13.242837
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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