Molecule

ID:71463

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₃
Molecular Mass
188.17942
Exact Mass
188.04734412
Charge
0
InChI
InChI=1S/C11H8O3/c1-7-2-3-9-10(4-7)14-6-8(5-12)11(9)13/h2-6H,1H3
InChIKey
GNGHZEZHBKSGTA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1coc2c(c1=O)ccc(c2)C
Isomeric Smiles
c1c(cc2c(c1)c(=O)c(co2)C=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6115288
LogD (pH = 7.4)
1.6115288
Log P
1.6115288
Molar Refractivity
51.4782
Polarizability
19.295454
Polar Surface Area
43.37
Rotatable Bonds
1
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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