Molecule

ID:101622

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₂S₂
Molecular Mass
297.2212
Exact Mass
295.94992692
Charge
0
InChI
InChI=1S/C10H10Cl2O2S2/c11-7-1-3-8(4-2-7)15-10-6-16(13,14)5-9(10)12/h1-4,9-10H,5-6H2/t9-,10-/m0/s1
InChIKey
NWPMWWNEXNOQGK-UWVGGRQHSA-N
Canonic Smiles
Cl[C@H]1CS(=O)(=O)C[C@@H]1Sc1ccc(cc1)Cl
Isomeric Smiles
S1(=O)(=O)C[C@@H]([C@H](C1)Cl)Sc1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2500281
LogD (pH = 7.4)
2.2500281
Log P
2.2500281
Molar Refractivity
68.1378
Polarizability
27.95849
Polar Surface Area
34.14
Rotatable Bonds
2
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