Molecule
ID:113524
General Information
Molecular Formula
C₄H₅ClO₂S
Molecular Mass
152.5993
Exact Mass
151.96987808
Charge
0
InChI
InChI=1S/C4H5ClO2S/c5-4-2-1-3-8(4,6)7/h2H,1,3H2
InChIKey
GOFJEUGVRXSVIH-UHFFFAOYSA-N
Canonic Smiles
ClC1=CCCS1(=O)=O
Isomeric Smiles
S1(=O)(=O)C(=CCC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9112532
LogD (pH = 7.4)
0.9112532
Log P
0.9112532
Molar Refractivity
31.3226
Polarizability
13.2785425
Polar Surface Area
34.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...