Molecule
ID:121583
General Information
Molecular Formula
C₄H₈ClNO₂S
Molecular Mass
169.62982
Exact Mass
168.99642718
Charge
0
InChI
InChI=1S/C4H7NO2S.ClH/c5-4-1-2-8(6,7)3-4;/h1-2,4H,3,5H2;1H
InChIKey
LKFDPRBLUFZFJH-UHFFFAOYSA-N
Canonic Smiles
[NH3+]C1C=CS(=O)(=O)C1.[Cl-]
Isomeric Smiles
S1(=O)(=O)C=CC(C1)[NH3+].[Cl-]
Calculated Properties
JChem
Acid pKa
14.900577
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.877647
LogD (pH = 7.4)
-2.1833222
Log P
-1.5292104
Molar Refractivity
41.6727
Polarizability
12.825225
Polar Surface Area
61.78
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...