Molecule

ID:39745

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀Cl₂S
Molecular Mass
269.1895
Exact Mass
267.98802668
Charge
0
InChI
InChI=1S/C13H10Cl2S/c14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12/h1-8H,9H2
InChIKey
KOJLGVDVLDAUEC-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1Sc1ccc(cc1)Cl
Isomeric Smiles
S(c1c(CCl)cccc1)c1ccc(Cl)cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.353282
LogD (pH = 7.4)
5.353282
Log P
5.353282
Molar Refractivity
73.4138
Polarizability
28.469536
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
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
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References
Bioactivity
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