Molecule

ID:27647

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₂S₂
Molecular Mass
253.34054
Exact Mass
253.0231206
Charge
0
InChI
InChI=1S/C11H11NO2S2/c1-14-11(13)9-7-4-2-3-5-8(7)16-10(9)12-6-15/h2-5H2,1H3
InChIKey
JKVSSDPOTCLFKE-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1sc2c(c1C(=O)OC)CCCC2
Isomeric Smiles
c1(c(c2c(s1)CCCC2)C(=O)OC)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.52968
LogD (pH = 7.4)
4.52968
Log P
4.52968
Molar Refractivity
68.8322
Polarizability
25.628057
Polar Surface Area
38.66
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