Molecule

ID:82678

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClO₂S₂
Molecular Mass
284.78166
Exact Mass
283.97324921
Charge
0
InChI
InChI=1S/C12H9ClO2S2/c1-15-12(14)10-6-16-7-11(10)17-9-4-2-8(13)3-5-9/h2-7H,1H3
InChIKey
NJFQCQSYIJGCNG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cscc1Sc1ccc(cc1)Cl
Isomeric Smiles
S(c1cscc1C(=O)OC)c1ccc(cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5499587
LogD (pH = 7.4)
4.5499587
Log P
4.5499587
Molar Refractivity
72.678
Polarizability
27.9525
Polar Surface Area
26.3
Rotatable Bonds
4
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