Molecule

ID:10142

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇ClO₂S
Molecular Mass
238.69008
Exact Mass
237.98552814
Charge
0
InChI
InChI=1S/C11H7ClO2S/c12-9-3-1-7(2-4-9)8-5-10(11(13)14)15-6-8/h1-6H,(H,13,14)
InChIKey
LNGAFEJENIBSLI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1csc(c1)C(=O)O
Isomeric Smiles
c1(cc(sc1)C(=O)O)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
3.3316414
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6421933
LogD (pH = 7.4)
0.3757757
Log P
3.79498
Molar Refractivity
60.1451
Polarizability
24.141312
Polar Surface Area
37.3
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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