Molecule

ID:12154

General Information
Structure
MolImage
Molecular Formula
C₆H₂F₁₂O₃S
Molecular Mass
382.1241184
Exact Mass
381.95330356
Charge
0
InChI
InChI=1S/C6H2F12O3S/c7-2(8,9)1-21-22(19,20)6(17,18)4(12,13)3(10,11)5(14,15)16/h1H2
InChIKey
KJGYBFLEIPDFNQ-UHFFFAOYSA-N
Canonic Smiles
FC(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.960314
LogD (pH = 7.4)
3.960314
Log P
3.960314
Molar Refractivity
42.2393
Polarizability
17.120636
Polar Surface Area
43.37
Rotatable Bonds
7
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
References
Bioactivity
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