Molecule

ID:74719

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO₂S₂
Molecular Mass
273.75902
Exact Mass
272.96849818
Charge
0
InChI
InChI=1S/C10H8ClNO2S2/c11-7-1-3-8(4-2-7)16(13,14)10-6-15-5-9(10)12/h1-6H,12H2
InChIKey
BNXALWKJNREZHV-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)S(=O)(=O)c1cscc1N
Isomeric Smiles
s1cc(c(c1)S(=O)(=O)c1ccc(cc1)Cl)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4836411
LogD (pH = 7.4)
2.4836411
Log P
2.4836411
Molar Refractivity
66.2012
Polarizability
26.113739
Polar Surface Area
60.16
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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