Molecule

ID:70361

General Information
Structure
MolImage
Molecular Formula
C₈H₄F₃N
Molecular Mass
171.1192696
Exact Mass
171.02958379
Charge
0
InChI
InChI=1S/C8H4F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H
InChIKey
OGOBINRVCUWLGN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1)C(F)(F)F
Isomeric Smiles
C(#N)c1cc(ccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7071905
LogD (pH = 7.4)
2.7071905
Log P
2.7071905
Molar Refractivity
37.7533
Polarizability
13.352842
Polar Surface Area
23.79
Rotatable Bonds
1
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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