Molecule

ID:102616

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
InChIKey
HXVZGASCDAGAPS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Oc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
CC(=O)Oc1cc2c(cc1)c(C)cc(=O)o2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6900152
LogD (pH = 7.4)
1.6900152
Log P
1.6900152
Molar Refractivity
56.963
Polarizability
21.98878
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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