Molecule

ID:75487

General Information
Structure
Molecular Formula
C₁₃H₁₈O₄S
Molecular Mass
270.34462
Exact Mass
270.09258006
Charge
0
InChI
InChI=1S/C13H18O4S/c1-11-2-4-13(5-3-11)18(14,15)17-10-12-6-8-16-9-7-12/h2-5,12H,6-10H2,1H3
InChIKey
DCBKCZSYJRZBDB-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCC1CCOCC1
Isomeric Smiles
O=S(=O)(c1ccc(cc1)C)OCC1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4673214
LogD (pH = 7.4)
2.4673214
Log P
2.4673214
Molar Refractivity
69.4975
Polarizability
27.953018
Polar Surface Area
52.6
Rotatable Bonds
4
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