Molecule

ID:40242

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂OS
Molecular Mass
180.26668
Exact Mass
180.060886
Charge
0
InChI
InChI=1S/C10H12OS/c1-10(2,8-11)12-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
SZJAXFYFRGJCCV-UHFFFAOYSA-N
Canonic Smiles
O=CC(Sc1ccccc1)(C)C
Isomeric Smiles
S(C(C=O)(C)C)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6110263
LogD (pH = 7.4)
2.6110263
Log P
2.6110263
Molar Refractivity
53.3309
Polarizability
20.821558
Polar Surface Area
17.07
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