Molecule

ID:86943

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈O₅
Molecular Mass
266.28972
Exact Mass
266.11542368
Charge
0
InChI
InChI=1S/C14H18O5/c1-4-18-13(15)12(14(16)19-5-2)10-6-8-11(17-3)9-7-10/h6-9,12H,4-5H2,1-3H3
InChIKey
QXHBIWJHLHGDEO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(c1ccc(cc1)OC)C(=O)OCC
Isomeric Smiles
O(C(=O)C(c1ccc(cc1)OC)C(=O)OCC)CC
Calculated Properties
JChem
Acid pKa
4.825801
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.437092
LogD (pH = 7.4)
-0.2895298
Log P
2.1934056
Molar Refractivity
69.1559
Polarizability
27.29668
Polar Surface Area
61.83
Rotatable Bonds
8
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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