Molecule

ID:118360

General Information
Structure
MolImage
Molecular Formula
C₈H₈ClFO₃S
Molecular Mass
238.6637232
Exact Mass
237.98667102
Charge
0
InChI
InChI=1S/C8H8ClFO3S/c1-2-13-8-4-3-6(5-7(8)10)14(9,11)12/h3-5H,2H2,1H3
InChIKey
LYBSIGBOIHWSAN-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1F)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1)OCC)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2613876
LogD (pH = 7.4)
2.2613876
Log P
2.2613876
Molar Refractivity
51.6804
Polarizability
20.57892
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation