Molecule

ID:86524

General Information
Structure
MolImage
Molecular Formula
C₇H₈O₂S
Molecular Mass
156.20222
Exact Mass
156.0245005
Charge
0
InChI
InChI=1S/C7H8O2S/c1-9-7(8)4-6-2-3-10-5-6/h2-3,5H,4H2,1H3
InChIKey
RZGRWVULDSXQSM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)Cc1cscc1
Isomeric Smiles
s1cc(CC(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5373302
LogD (pH = 7.4)
1.5373302
Log P
1.5373302
Molar Refractivity
39.2405
Polarizability
15.302537
Polar Surface Area
26.3
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