Molecule

ID:8750

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClO₂S₂
Molecular Mass
182.64842
Exact Mass
181.92629902
Charge
0
InChI
InChI=1S/C4H3ClO2S2/c5-9(6,7)4-2-1-3-8-4/h1-3H
InChIKey
VNNLHYZDXIBHKZ-UHFFFAOYSA-N
Canonic Smiles
ClS(=O)(=O)c1cccs1
Isomeric Smiles
S(=O)(=O)(c1sccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8659868
LogD (pH = 7.4)
1.8659868
Log P
1.8659868
Molar Refractivity
36.5179
Polarizability
15.230471
Polar Surface Area
34.14
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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