Molecule

ID:59587

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄O₅
Molecular Mass
298.29006
Exact Mass
298.08412355
Charge
0
InChI
InChI=1S/C17H14O5/c1-9-14(21-10(2)16(18)19)8-7-12-11-5-3-4-6-13(11)17(20)22-15(9)12/h3-8,10H,1-2H3,(H,18,19)
InChIKey
VIIZLJIIHXCDDN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc2c(c1C)oc(=O)c1c2cccc1)C
Isomeric Smiles
c12oc(=O)c3c(c1ccc(c2C)OC(C(=O)O)C)cccc3
Calculated Properties
JChem
Acid pKa
3.2980258
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1430968
LogD (pH = 7.4)
-0.09869305
Log P
3.327825
Molar Refractivity
79.022
Polarizability
31.582367
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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