Molecule

ID:86250

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄S
Molecular Mass
250.2704
Exact Mass
250.0299798
Charge
0
InChI
InChI=1S/C12H10O4S/c1-7-6-17-11(12(14)15-2)10(7)9-4-3-8(5-13)16-9/h3-6H,1-2H3
InChIKey
FQKWEXXBELHYRZ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1scc(c1c1ccc(o1)C=O)C
Isomeric Smiles
s1c(c(c2ccc(o2)C=O)c(c1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.743001
LogD (pH = 7.4)
2.743001
Log P
2.743001
Molar Refractivity
64.003
Polarizability
24.945835
Polar Surface Area
56.51
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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