Molecule

ID:24715

General Information
Structure
MolImage
Molecular Formula
C₆H₉ClN₂O₂S
Molecular Mass
208.66586
Exact Mass
208.00732622
Charge
0
InChI
InChI=1S/C6H9ClN2O2S/c1-4-6(12(7,10)11)5(2)9(3)8-4/h1-3H3
InChIKey
QLSAMUCENQZGHN-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(c(c1C)S(=O)(=O)Cl)C
Isomeric Smiles
c1(S(=O)(=O)Cl)c(nn(c1C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.6782207
LogD (pH = 7.4)
0.6783389
Log P
0.6783404
Molar Refractivity
58.8968
Polarizability
18.612732
Polar Surface Area
51.96
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