Molecule

ID:51518

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆O₃S
Molecular Mass
204.28654
Exact Mass
204.08201537
Charge
0
InChI
InChI=1S/C9H16O3S/c1-8-3-5-9(6-4-8)7-12-13(2,10)11/h9H,1,3-7H2,2H3
InChIKey
ZLQYYUDSHSVJDO-UHFFFAOYSA-N
Canonic Smiles
C=C1CCC(CC1)COS(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(OCC1CCC(=C)CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4712437
LogD (pH = 7.4)
1.4712437
Log P
1.4712437
Molar Refractivity
51.0849
Polarizability
21.225658
Polar Surface Area
43.37
Rotatable Bonds
3
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