Molecule

ID:59863

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₅
Molecular Mass
276.28454
Exact Mass
276.09977361
Charge
0
InChI
InChI=1S/C15H16O5/c1-7-8(2)15(18)20-13-9(3)12(6-5-11(7)13)19-10(4)14(16)17/h5-6,10H,1-4H3,(H,16,17)
InChIKey
HDFVRKMOQDRHIT-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1C)oc(=O)c(c2C)C)C
Isomeric Smiles
c12oc(=O)c(c(c1ccc(c2C)OC(C(=O)O)C)C)C
Calculated Properties
JChem
Acid pKa
3.3142273
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.71145743
LogD (pH = 7.4)
-0.5422461
Log P
2.8808024
Molar Refractivity
72.2706
Polarizability
27.898874
Polar Surface Area
72.83
Rotatable Bonds
3
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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