Molecule

ID:34781

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂O₄S
Molecular Mass
276.30768
Exact Mass
276.04562986
Charge
0
InChI
InChI=1S/C14H12O4S/c1-11-6-8-13(9-7-11)19(16,17)18-14-5-3-2-4-12(14)10-15/h2-10H,1H3
InChIKey
IPWGJYLXLDJKOC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(Oc1c(C=O)cccc1)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.4159954
LogD (pH = 7.4)
3.4159954
Log P
3.4159954
Molar Refractivity
72.5656
Polarizability
28.391197
Polar Surface Area
60.44
Rotatable Bonds
4
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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