Molecule

ID:57356

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₂O₂S
Molecular Mass
261.12444
Exact Mass
259.94655579
Charge
0
InChI
InChI=1S/C10H6Cl2O2S/c1-14-10(13)9-8(12)7-5(11)3-2-4-6(7)15-9/h2-4H,1H3
InChIKey
SKWQDBQCLUXTKF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1Cl)c(Cl)ccc2
Isomeric Smiles
c1(c2c(ccc1)sc(c2Cl)C(=O)OC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1932764
LogD (pH = 7.4)
4.1932764
Log P
4.1932764
Molar Refractivity
60.8171
Polarizability
24.780949
Polar Surface Area
26.3
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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