Molecule

ID:98902

General Information
Structure
MolImage
Molecular Formula
C₄F₅N
Molecular Mass
157.041516
Exact Mass
156.99509011
Charge
0
InChI
InChI=1S/C4F5N/c5-2(3(6)7)4(8,9)1-10
InChIKey
KADDQZUTOFNHMA-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(=C(F)F)F)(F)F
Isomeric Smiles
N#CC(C(=C(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3982984
LogD (pH = 7.4)
1.3982984
Log P
1.3982984
Molar Refractivity
32.2712
Polarizability
7.598532
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
No Data Available
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Molecule Details
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References
Bioactivity
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