Molecule

ID:66057

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClO₂S
Molecular Mass
190.64728
Exact Mass
189.98552814
Charge
0
InChI
InChI=1S/C7H7ClO2S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4H,2H2,1H3
InChIKey
BLQUEYLSBBYPKM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sccc1Cl
Isomeric Smiles
c1(c(ccs1)Cl)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8504567
LogD (pH = 7.4)
2.8504567
Log P
2.8504567
Molar Refractivity
44.5266
Polarizability
17.27319
Polar Surface Area
26.3
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