Molecule

ID:82571

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂S₂
Molecular Mass
265.35124
Exact Mass
265.0231206
Charge
0
InChI
InChI=1S/C12H11NO2S2/c1-4-15-11(14)10-7(3)9-6(2)8(5-13)16-12(9)17-10/h4H2,1-3H3
InChIKey
AVADGSSQORDQMY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1sc2c(c1C)c(c(s2)C#N)C
Isomeric Smiles
s1c(c(c2c1sc(c2C)C#N)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.493119
LogD (pH = 7.4)
4.493119
Log P
4.493119
Molar Refractivity
67.5745
Polarizability
26.197128
Polar Surface Area
50.09
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