Molecule

ID:68052

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClO₂S
Molecular Mass
162.59412
Exact Mass
161.95422802
Charge
0
InChI
InChI=1S/C5H3ClO2S/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChIKey
DZVPSOCOJRCNIA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccsc1Cl
Isomeric Smiles
c1(c(ccs1)C(=O)O)Cl
Calculated Properties
JChem
Acid pKa
3.445593
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.13739671
LogD (pH = 7.4)
-1.2096208
Log P
2.1813114
Molar Refractivity
34.3847
Polarizability
13.459628
Polar Surface Area
37.3
Rotatable Bonds
1
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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