Molecule

ID:99746

General Information
Structure
MolImage
Molecular Formula
C₆F₁₁N
Molecular Mass
295.0533352
Exact Mass
294.98550943
Charge
0
InChI
InChI=1S/C6F11N/c7-2(8,1-18)3(9,10)4(11,12)5(13,14)6(15,16)17
InChIKey
SIRKRRJSXWDMMJ-UHFFFAOYSA-N
Canonic Smiles
N#CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N#CC(C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7695026
LogD (pH = 7.4)
3.7695026
Log P
3.7695026
Molar Refractivity
31.3052
Polarizability
11.978965
Polar Surface Area
23.79
Rotatable Bonds
4
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
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References
Bioactivity
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