Molecule

ID:54266

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)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3
InChIKey
JNGQNRAIASLBQA-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)c1ccc(cc1)S(=O)(=O)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(c2nc(sc2)C)cc1)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7340217
LogD (pH = 7.4)
2.7344763
Log P
2.734482
Molar Refractivity
64.6655
Polarizability
26.857443
Polar Surface Area
47.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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