Molecule

ID:77086

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈OS
Molecular Mass
188.24562
Exact Mass
188.02958588
Charge
0
InChI
InChI=1S/C11H8OS/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-8H
InChIKey
MWYVQGTVFMAUOH-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1c1cccs1
Isomeric Smiles
s1cccc1c1ccccc1C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1101215
LogD (pH = 7.4)
3.1101215
Log P
3.1101215
Molar Refractivity
54.6681
Polarizability
21.854893
Polar Surface Area
17.07
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