Molecule

ID:84423

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉Cl₃N₂OS₂
Molecular Mass
367.70166
Exact Mass
365.92218796
Charge
0
InChI
InChI=1S/C12H9Cl3N2OS2/c13-12(14,15)11-16-9(17-18-11)7-1-3-8(4-2-7)10-19-5-6-20-10/h1-4,10H,5-6H2
InChIKey
UBZLZMSRGJGNNA-UHFFFAOYSA-N
Canonic Smiles
ClC(c1onc(n1)c1ccc(cc1)C1SCCS1)(Cl)Cl
Isomeric Smiles
n1c(C(Cl)(Cl)Cl)onc1c1ccc(cc1)C1SCCS1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0129447
LogD (pH = 7.4)
5.0129447
Log P
5.0129447
Molar Refractivity
99.9239
Polarizability
34.09506
Polar Surface Area
38.92
Rotatable Bonds
3
Lipinski's Rule of Five
false
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