Molecule

ID:7811

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄O₅
Molecular Mass
286.27936
Exact Mass
286.08412355
Charge
0
InChI
InChI=1S/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3
InChIKey
YGMHIBLUWGDWKP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)OC(=O)c1ccc(cc1)OC
Isomeric Smiles
O(C(=O)c1ccc(cc1)OC)C(=O)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.4804869
LogD (pH = 7.4)
3.4804869
Log P
3.4804869
Molar Refractivity
76.3494
Polarizability
29.436062
Polar Surface Area
61.83
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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