Molecule

ID:80348

General Information
Structure
Molecular Formula
C₁₆H₁₄O₄S₂
Molecular Mass
334.40996
Exact Mass
334.03335093
Charge
0
InChI
InChI=1S/C16H14O4S2/c1-19-15(17)11-7-3-5-9-13(11)21-22-14-10-6-4-8-12(14)16(18)20-2/h3-10H,1-2H3
InChIKey
NECMWXVJIUGCSW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1SSc1ccccc1C(=O)OC
Isomeric Smiles
S(c1ccccc1C(=O)OC)Sc1ccccc1C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.580699
LogD (pH = 7.4)
4.580699
Log P
4.580699
Molar Refractivity
86.5108
Polarizability
34.885536
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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