Molecule

ID:86232

General Information
Structure
Molecular Formula
C₁₀H₁₀Cl₂O₂S
Molecular Mass
265.1562
Exact Mass
263.97785592
Charge
0
InChI
InChI=1S/C10H10Cl2O2S/c1-14-10(13)6-15-5-7-8(11)3-2-4-9(7)12/h2-4H,5-6H2,1H3
InChIKey
WXHQNQTVKFTSAV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CSCc1c(Cl)cccc1Cl
Isomeric Smiles
O=C(CSCc1c(cccc1Cl)Cl)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3649075
LogD (pH = 7.4)
3.3649075
Log P
3.3649075
Molar Refractivity
64.1644
Polarizability
25.327877
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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