Molecule

ID:74661

General Information
Structure
MolImage
Molecular Formula
C₆H₆O₂S
Molecular Mass
142.17564
Exact Mass
142.00885043
Charge
0
InChI
InChI=1S/C6H6O2S/c1-8-5-2-3-9-6(5)4-7/h2-4H,1H3
InChIKey
KGJDTMQUUPIAEF-UHFFFAOYSA-N
Canonic Smiles
COc1ccsc1C=O
Isomeric Smiles
s1ccc(c1C=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4409583
LogD (pH = 7.4)
1.4409583
Log P
1.4409583
Molar Refractivity
35.9951
Polarizability
13.455929
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