Molecule

ID:8385

General Information
Structure
MolImage
Molecular Formula
C₆H₅ClS
Molecular Mass
144.6219
Exact Mass
143.98004884
Charge
0
InChI
InChI=1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H
InChIKey
CQJDYPZUDYXHLM-UHFFFAOYSA-N
Canonic Smiles
Sc1cccc(c1)Cl
Isomeric Smiles
c1cc(cc(c1)S)Cl
Calculated Properties
JChem
Acid pKa
5.449636
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.361459
LogD (pH = 7.4)
1.3530722
Log P
2.6704977
Molar Refractivity
38.8726
Polarizability
15.229084
Polar Surface Area
0.0
Rotatable Bonds
0
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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