Molecule

ID:87010

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀O₂S
Molecular Mass
182.2395
Exact Mass
182.04015056
Charge
0
InChI
InChI=1S/C9H10O2S/c1-11-9(10)7-12-8-5-3-2-4-6-8/h2-6H,7H2,1H3
InChIKey
MUNSXQQODXYRKI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSc1ccccc1
Isomeric Smiles
S(c1ccccc1)CC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9140065
LogD (pH = 7.4)
1.9140065
Log P
1.9140065
Molar Refractivity
49.8182
Polarizability
19.66045
Polar Surface Area
26.3
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