Molecule

ID:54265

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S₂
Molecular Mass
273.75902
Exact Mass
272.96849818
Charge
0
InChI
InChI=1S/C10H8ClNO2S2/c1-7-12-10(6-15-7)8-3-2-4-9(5-8)16(11,13)14/h2-6H,1H3
InChIKey
ZZGWJBAJNLBBRB-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1cccc(c1)S(=O)(=O)Cl
Isomeric Smiles
O=S(=O)(c1cccc(c2nc(sc2)C)c1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7340174
LogD (pH = 7.4)
2.734476
Log P
2.734482
Molar Refractivity
64.6655
Polarizability
26.855564
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