Molecule
ID:88133
General Information
Molecular Formula
C₅H₃ClO₂S
Molecular Mass
162.59412
Exact Mass
161.95422802
Charge
0
InChI
InChI=1S/C5H3ClO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)
InChIKey
JWQMRBBWZUKWFJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(cs1)Cl
Isomeric Smiles
s1c(cc(c1)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3169973
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.018958056
LogD (pH = 7.4)
-1.2746903
Log P
2.1477547
Molar Refractivity
35.0089
Polarizability
13.408323
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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