Molecule

ID:79243

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₄Cl₂O₆S
Molecular Mass
487.39336
Exact Mass
486.06706485
Charge
0
InChI
InChI=1S/C22H24Cl2O6S/c1-21(2,13-23)19(25)29-15-5-9-17(10-6-15)31(27,28)18-11-7-16(8-12-18)30-20(26)22(3,4)14-24/h5-12H,13-14H2,1-4H3
InChIKey
LGFYRZSJGWYGJW-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)OC(=O)C(CCl)(C)C)(C)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)OC(=O)C(CCl)(C)C)c1ccc(cc1)OC(=O)C(CCl)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.8893166
LogD (pH = 7.4)
5.8893166
Log P
5.8893166
Molar Refractivity
118.9112
Polarizability
48.014095
Polar Surface Area
86.74
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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