Molecule

ID:74520

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClOS
Molecular Mass
160.6213
Exact Mass
159.97496346
Charge
0
InChI
InChI=1S/C6H5ClOS/c7-6(8)4-5-2-1-3-9-5/h1-3H,4H2
InChIKey
AJYXPNIENRLELY-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)Cc1cccs1
Isomeric Smiles
s1cccc1CC(=O)Cl
Calculated Properties
JChem
Acid pKa
13.30243
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.0572052
LogD (pH = 7.4)
2.0572045
Log P
2.0572052
Molar Refractivity
38.114
Polarizability
14.66542
Polar Surface Area
17.07
Rotatable Bonds
2
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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