Molecule

ID:101299

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NS
Molecular Mass
189.27674
Exact Mass
189.06122036
Charge
0
InChI
InChI=1S/C11H11NS/c12-7-9-2-1-3-10(6-9)11-4-5-13-8-11/h1-6,8H,7,12H2
InChIKey
GBUXQFDNGWGBJH-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)c1cscc1
Isomeric Smiles
c1(c2cc(CN)ccc2)cscc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.45572668
LogD (pH = 7.4)
0.52497435
Log P
2.5266817
Molar Refractivity
56.7734
Polarizability
23.365387
Polar Surface Area
26.02
Rotatable Bonds
2
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