Molecule
ID:93570
General Information
Molecular Formula
C₅F₉N
Molecular Mass
245.0458288
Exact Mass
244.98870299
Charge
0
InChI
InChI=1S/C5F9N/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14
InChIKey
FVBKAFXHWXBINM-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(C(C(C#N)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0688598
LogD (pH = 7.4)
3.0688598
Log P
3.0688598
Molar Refractivity
26.6372
Polarizability
10.062502
Polar Surface Area
23.79
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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