Molecule

ID:6445

General Information
Structure
Molecular Formula
C₆F₁₂
Molecular Mass
300.0450384
Exact Mass
299.98083864
Charge
0
InChI
InChI=1S/C6F12/c7-1(6(16,17)18)2(8,9)4(12,13)5(14,15)3(1,10)11
InChIKey
BCNXQFASJTYKDJ-UHFFFAOYSA-N
Canonic Smiles
FC(C1(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C1(C(C(C(C1(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9421926
LogD (pH = 7.4)
3.9421926
Log P
3.9421926
Molar Refractivity
28.2821
Polarizability
11.511321
Polar Surface Area
0.0
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
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Molecule Details
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References
Bioactivity
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