Molecule

ID:25790

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁ClO₂S
Molecular Mass
218.70044
Exact Mass
218.01682827
Charge
0
InChI
InChI=1S/C9H11ClO2S/c1-6-4-8(3)9(5-7(6)2)13(10,11)12/h4-5H,1-3H3
InChIKey
ZFMHIKFWALHYFF-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(c(cc1C)C)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1cc(c(cc1C)C)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.459813
LogD (pH = 7.4)
3.459813
Log P
3.459813
Molar Refractivity
55.3758
Polarizability
21.669704
Polar Surface Area
34.14
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