Molecule

ID:101439

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₂S
Molecular Mass
160.23398
Exact Mass
160.05580062
Charge
0
InChI
InChI=1S/C7H12O2S/c1-9-7(8)6-2-4-10-5-3-6/h6H,2-5H2,1H3
InChIKey
OCBOIQWPCVXVKT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCSCC1
Isomeric Smiles
C(=O)(C1CCSCC1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2350283
LogD (pH = 7.4)
1.2350283
Log P
1.2350283
Molar Refractivity
42.1411
Polarizability
16.73439
Polar Surface Area
26.3
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