Molecule
ID:69319
General Information
Molecular Formula
C₇H₈O₂S
Molecular Mass
156.20222
Exact Mass
156.0245005
Charge
0
InChI
InChI=1S/C7H8O2S/c1-5-6(3-4-10-5)7(8)9-2/h3-4H,1-2H3
InChIKey
CCNDEWOBDKZGAD-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccsc1C
Isomeric Smiles
c1(c(ccs1)C(=O)OC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4030256
LogD (pH = 7.4)
2.4030256
Log P
2.4030256
Molar Refractivity
40.2454
Polarizability
15.220471
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...