Molecule

ID:59912

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆O₄
Molecular Mass
260.28514
Exact Mass
260.10485899
Charge
0
InChI
InChI=1S/C15H16O4/c1-8-9(2)15(17)19-14-7-12(5-6-13(8)14)18-11(4)10(3)16/h5-7,11H,1-4H3
InChIKey
DZNZFKVXGBBLCI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(Oc1ccc2c(c1)oc(=O)c(c2C)C)C
Isomeric Smiles
c1(=O)c(c(c2c(o1)cc(OC(C(=O)C)C)cc2)C)C
Calculated Properties
JChem
Acid pKa
18.15572
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6970065
LogD (pH = 7.4)
2.6970065
Log P
2.6970065
Molar Refractivity
70.7805
Polarizability
27.50092
Polar Surface Area
52.6
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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