Molecule

ID:36432

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈O₄
Molecular Mass
204.17882
Exact Mass
204.04225874
Charge
0
InChI
InChI=1S/C11H8O4/c1-14-8-2-3-10-9(4-8)11(13)7(5-12)6-15-10/h2-6H,1H3
InChIKey
ILFXSWVYDSZVBC-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c(=O)c(co2)C=O
Isomeric Smiles
c1(ccc2c(c1)c(=O)c(co2)C=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.9404361
LogD (pH = 7.4)
0.9404361
Log P
0.9404361
Molar Refractivity
52.9002
Polarizability
20.076305
Polar Surface Area
52.6
Rotatable Bonds
2
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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