Molecule

ID:19361

General Information
Structure
MolImage
Molecular Formula
C₃H₃ClN₂O₂S
Molecular Mass
166.58612
Exact Mass
165.96037603
Charge
0
InChI
InChI=1S/C3H3ClN2O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)
InChIKey
MXCZCMCHRWGSBX-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1nc[nH]c1
Isomeric Smiles
S(=O)(=O)(c1nc[nH]c1)Cl
Calculated Properties
JChem
Acid pKa
7.804195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.39344674
LogD (pH = 7.4)
0.25645083
Log P
0.39553636
Molar Refractivity
33.5205
Polarizability
13.423415
Polar Surface Area
62.82
Rotatable Bonds
1
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