Molecule

ID:56801

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₃O₂S
Molecular Mass
295.5695
Exact Mass
293.90758344
Charge
0
InChI
InChI=1S/C10H5Cl3O2S/c1-15-5-3-2-4-6(11)9(10(13)14)16-8(4)7(5)12/h2-3H,1H3
InChIKey
RYIXVDARTFRZDX-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1Cl)sc(c2Cl)C(=O)Cl
Isomeric Smiles
c1(sc2c(c1Cl)ccc(c2Cl)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2230406
LogD (pH = 7.4)
4.2230406
Log P
4.2230406
Molar Refractivity
66.3697
Polarizability
26.712242
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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