Molecule

ID:34162

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂OS₂
Molecular Mass
284.78496
Exact Mass
283.9844826
Charge
0
InChI
InChI=1S/C11H9ClN2OS2/c12-7-1-3-9(4-2-7)17-6-8-5-10(15)14-11(16)13-8/h1-5H,6H2,(H2,13,14,15,16)
InChIKey
YWBVXRBPAQCKNG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)SCc1cc(=O)[nH]c(n1)S
Isomeric Smiles
[nH]1c(nc(cc1=O)CSc1ccc(cc1)Cl)S
Calculated Properties
JChem
Acid pKa
6.3979263
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.0495949
LogD (pH = 7.4)
2.2903752
Log P
3.0973895
Molar Refractivity
75.5444
Polarizability
28.514065
Polar Surface Area
41.46
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