Molecule

ID:59684

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₆O₅
Molecular Mass
324.32734
Exact Mass
324.09977361
Charge
0
InChI
InChI=1S/C19H16O5/c1-11-16(23-12(2)19(21)22)9-8-14-15(10-17(20)24-18(11)14)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,21,22)
InChIKey
UJGVKTUGTHSXJA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1C)oc(=O)cc2c1ccccc1)C
Isomeric Smiles
c12c(c(cc(=O)o2)c2ccccc2)ccc(c1C)OC(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2088327
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3500639
LogD (pH = 7.4)
0.17517962
Log P
3.619056
Molar Refractivity
97.1842
Polarizability
33.77054
Polar Surface Area
72.83
Rotatable Bonds
4
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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