Molecule

ID:41961

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₅
Molecular Mass
286.27936
Exact Mass
286.08412355
Charge
0
InChI
InChI=1S/C16H14O5/c1-20-13-8-7-11(10-17)9-14(13)21-15(16(18)19)12-5-3-2-4-6-12/h2-10,15H,1H3,(H,18,19)
InChIKey
UPXUEIMEVCVCLQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(c(c1)OC(c1ccccc1)C(=O)O)OC
Isomeric Smiles
O(c1c(ccc(c1)C=O)OC)C(C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.2265885
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.5325387
LogD (pH = 7.4)
-0.65582824
Log P
2.7848184
Molar Refractivity
76.0109
Polarizability
29.221888
Polar Surface Area
72.83
Rotatable Bonds
6
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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