Molecule

ID:101164

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S₂
Molecular Mass
273.75902
Exact Mass
272.96849818
Charge
0
InChI
InChI=1S/C10H8ClNO2S2/c1-7-10(16(11,13)14)15-9(12-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
NGDQQLAVJWUYSF-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(sc1S(=O)(=O)Cl)c1ccccc1
Isomeric Smiles
c1(S(=O)(=O)Cl)sc(nc1C)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9004776
LogD (pH = 7.4)
2.9004781
Log P
2.9004781
Molar Refractivity
74.3136
Polarizability
26.251677
Polar Surface Area
47.03
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