Molecule

ID:58834

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈O₄S
Molecular Mass
270.34462
Exact Mass
270.09258006
Charge
0
InChI
InChI=1S/C13H18O4S/c1-11-5-7-13(8-6-11)18(14,15)17-10-12-4-2-3-9-16-12/h5-8,12H,2-4,9-10H2,1H3
InChIKey
YNBDZQRMEDQOQM-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)OCC1CCCCO1
Isomeric Smiles
S(=O)(=O)(OCC1OCCCC1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9086924
LogD (pH = 7.4)
2.9086924
Log P
2.9086924
Molar Refractivity
69.0597
Polarizability
27.953003
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