Molecule

ID:77274

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClOS
Molecular Mass
160.6213
Exact Mass
159.97496346
Charge
0
InChI
InChI=1S/C6H5ClOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3
InChIKey
LUEKBBMZPLXIQR-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(sc1)C(=O)Cl
Isomeric Smiles
s1c(cc(c1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.590461
LogD (pH = 7.4)
2.590461
Log P
2.590461
Molar Refractivity
39.1038
Polarizability
14.58519
Polar Surface Area
17.07
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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