Molecule

ID:120484

General Information
Structure
MolImage
Molecular Formula
C₈F₁₈O₂S
Molecular Mass
502.1206576
Exact Mass
501.9331582
Charge
0
InChI
InChI=1S/C8F18O2S/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28
InChIKey
BHFJBHMTEDLICO-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(S(=O)(=O)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.9076347
LogD (pH = 7.4)
5.9076347
Log P
5.9076347
Molar Refractivity
49.9156
Polarizability
20.465876
Polar Surface Area
34.14
Rotatable Bonds
8
Lipinski's Rule of Five
false
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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