Molecule

ID:98753

General Information
Structure
MolImage
Molecular Formula
C₆F₁₄O₂S
Molecular Mass
402.1056448
Exact Mass
401.93954532
Charge
0
InChI
InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
InChIKey
HSDJWNJDPDJOEV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(C(F)(F)F)(F)C(C(F)(C(F)(F)C(S(=O)(=O)F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.5063496
LogD (pH = 7.4)
4.5063496
Log P
4.5063496
Molar Refractivity
40.5796
Polarizability
16.633419
Polar Surface Area
34.14
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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