Molecule

ID:110206

General Information
Structure
MolImage
Molecular Formula
C₇H₆Cl₂S
Molecular Mass
193.09354
Exact Mass
191.95672655
Charge
0
InChI
InChI=1S/C7H6Cl2S/c8-6-2-1-5(4-10)3-7(6)9/h1-3,10H,4H2
InChIKey
CEGBRSQPRQXALB-UHFFFAOYSA-N
Canonic Smiles
SCc1ccc(c(c1)Cl)Cl
Isomeric Smiles
SCc1ccc(Cl)c(Cl)c1
Calculated Properties
JChem
Acid pKa
9.93069
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.66534
LogD (pH = 7.4)
3.664169
Log P
3.6653547
Molar Refractivity
48.5121
Polarizability
18.997675
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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