Molecule
ID:71379
General Information
Molecular Formula
C₅H₅ClOS
Molecular Mass
148.6106
Exact Mass
147.97496346
Charge
0
InChI
InChI=1S/C5H5ClOS/c6-4-1-2-8-5(4)3-7/h1-2,7H,3H2
InChIKey
CAAOMIYPIICAKB-UHFFFAOYSA-N
Canonic Smiles
OCc1sccc1Cl
Isomeric Smiles
c1(c(ccs1)Cl)CO
Calculated Properties
JChem
Acid pKa
14.234671
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7228221
LogD (pH = 7.4)
1.7228221
Log P
1.7228221
Molar Refractivity
34.5686
Polarizability
13.406936
Polar Surface Area
20.23
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
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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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