Molecule

ID:13725

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂S
Molecular Mass
193.09354
Exact Mass
191.95672655
Charge
0
InChI
InChI=1S/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3
InChIKey
PSSCMQMQOXVMFG-UHFFFAOYSA-N
Canonic Smiles
CSc1cc(Cl)cc(c1)Cl
Isomeric Smiles
c1(cc(cc(c1)SC)Cl)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8095522
LogD (pH = 7.4)
3.8095522
Log P
3.8095522
Molar Refractivity
48.4265
Polarizability
18.963154
Polar Surface Area
0.0
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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