Molecule

ID:83895

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂S₂
Molecular Mass
250.38296
Exact Mass
250.05984046
Charge
0
InChI
InChI=1S/C12H14N2S2/c1-3-15-12(16-4-2)10(9-13)11-7-5-6-8-14-11/h5-8H,3-4H2,1-2H3
InChIKey
ZUSAFVJEIXUOGN-UHFFFAOYSA-N
Canonic Smiles
CCSC(=C(c1ccccn1)C#N)SCC
Isomeric Smiles
N#CC(=C(SCC)SCC)c1ncccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5878844
LogD (pH = 7.4)
3.5885956
Log P
3.5886047
Molar Refractivity
82.6017
Polarizability
28.160244
Polar Surface Area
36.68
Rotatable Bonds
5
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