Molecule

ID:83221

General Information
Structure
Molecular Formula
C₁₁H₈Cl₂OS
Molecular Mass
259.15162
Exact Mass
257.96729124
Charge
0
InChI
InChI=1S/C11H8Cl2OS/c1-6-8-4-7(13)2-3-10(8)15-11(6)9(14)5-12/h2-4H,5H2,1H3
InChIKey
MSOJRYIWMSFMDD-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1sc2c(c1C)cc(cc2)Cl
Isomeric Smiles
s1c(c(c2c1ccc(c2)Cl)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
14.353257
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1941676
LogD (pH = 7.4)
4.1941676
Log P
4.1941676
Molar Refractivity
64.1842
Polarizability
25.70476
Polar Surface Area
17.07
Rotatable Bonds
2
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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