Molecule
ID:34786
General Information
Molecular Formula
C₁₂H₁₀O₄
Molecular Mass
218.2054
Exact Mass
218.0579088
Charge
0
InChI
InChI=1S/C12H10O4/c1-7(13)10-6-8-5-9(15-2)3-4-11(8)16-12(10)14/h3-6H,1-2H3
InChIKey
AAVQBJDAXLIBIO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(c(=O)o2)C(=O)C
Isomeric Smiles
c1(c(=O)oc2c(c1)cc(cc2)OC)C(=O)C
Calculated Properties
JChem
Acid pKa
18.377073
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.542557
LogD (pH = 7.4)
1.542557
Log P
1.542557
Molar Refractivity
57.6372
Polarizability
21.993847
Polar Surface Area
52.6
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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