Molecule

ID:11964

General Information
Structure
MolImage
Molecular Formula
C₈H₂F₁₆O₃S
Molecular Mass
482.1391312
Exact Mass
481.94691644
Charge
0
InChI
InChI=1S/C8H2F16O3S/c9-2(10,3(11,12)6(17,18)19)1-27-28(25,26)8(23,24)5(15,16)4(13,14)7(20,21)22/h1H2
InChIKey
TXGIYYDHRSACPQ-UHFFFAOYSA-N
Canonic Smiles
FC(C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C(C(C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)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)
5.3615994
LogD (pH = 7.4)
5.3615994
Log P
5.3615994
Molar Refractivity
51.5753
Polarizability
20.941212
Polar Surface Area
43.37
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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