Molecule

ID:98796

General Information
Structure
MolImage
Molecular Formula
C₆F₁₃N
Molecular Mass
333.0501416
Exact Mass
332.98231587
Charge
0
InChI
InChI=1S/C6F13N/c7-1(8)2(9,10)4(13,14)20(6(17,18)19)5(15,16)3(1,11)12
InChIKey
KCOKATNPCXDTEB-UHFFFAOYSA-N
Canonic Smiles
FC(N1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N1(C(F)(C(F)(C(C(C1(F)F)(F)F)(F)F)F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.405633
LogD (pH = 7.4)
5.405633
Log P
5.405633
Molar Refractivity
29.7604
Polarizability
13.050727
Polar Surface Area
3.24
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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