Molecule

ID:39879

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₂S
Molecular Mass
218.2716
Exact Mass
218.04015056
Charge
0
InChI
InChI=1S/C12H10O2S/c1-14-10-4-2-9(3-5-10)12-7-6-11(8-13)15-12/h2-8H,1H3
InChIKey
ODLOZSNXTQAWGQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(s1)C=O
Isomeric Smiles
c1(sc(cc1)C=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0848897
LogD (pH = 7.4)
3.0848897
Log P
3.0848897
Molar Refractivity
60.9154
Polarizability
24.359638
Polar Surface Area
26.3
Rotatable Bonds
3
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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