Molecule

ID:7786

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₂S
Molecular Mass
244.30888
Exact Mass
244.05580062
Charge
0
InChI
InChI=1S/C14H12O2S/c15-17(16,14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H/b12-11+
InChIKey
DNMCCXFLTURVLK-VAWYXSNFSA-N
Canonic Smiles
O=S(=O)(c1ccccc1)/C=C/c1ccccc1
Isomeric Smiles
c1cccc(c1)/C=C/S(=O)(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1490412
LogD (pH = 7.4)
3.1490412
Log P
3.1490412
Molar Refractivity
69.3667
Polarizability
27.58076
Polar Surface Area
34.14
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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