Molecule

ID:82573

General Information
Structure
MolImage
Molecular Formula
C₉H₈OS₂
Molecular Mass
196.28922
Exact Mass
196.00165688
Charge
0
InChI
InChI=1S/C9H8OS2/c1-5-4-11-9-8(5)6(2)7(3-10)12-9/h3-4H,1-2H3
InChIKey
WEAXSPMHCXWYPF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1C)c(cs2)C
Isomeric Smiles
s1c2c(c(c1C=O)C)c(cs2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8568006
LogD (pH = 7.4)
3.8568006
Log P
3.8568006
Molar Refractivity
51.8789
Polarizability
19.931633
Polar Surface Area
17.07
Rotatable Bonds
1
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