Molecule

ID:9585

General Information
Structure
MolImage
Molecular Formula
C₆ClF₅O₂S
Molecular Mass
266.573016
Exact Mass
265.92276902
Charge
0
InChI
InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12
InChIKey
UOJCTEGNHXRPKO-UHFFFAOYSA-N
Canonic Smiles
Fc1c(F)c(F)c(c(c1F)S(=O)(=O)Cl)F
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)F)F)S(=O)(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6330585
LogD (pH = 7.4)
2.6330585
Log P
2.6330585
Molar Refractivity
41.3342
Polarizability
15.980214
Polar Surface Area
34.14
Rotatable Bonds
1
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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