Molecule
ID:101136
General Information
Molecular Formula
C₉H₅ClOS
Molecular Mass
196.6534
Exact Mass
195.97496346
Charge
0
InChI
InChI=1S/C9H5ClOS/c10-9(11)7-1-2-8-6(5-7)3-4-12-8/h1-5H
InChIKey
YICARPJDZQGVQC-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2c(c1)ccs2
Isomeric Smiles
C(=O)(c1cc2c(scc2)cc1)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.040183
LogD (pH = 7.4)
3.040183
Log P
3.040183
Molar Refractivity
50.5128
Polarizability
20.233719
Polar Surface Area
17.07
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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