Molecule

ID:91086

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀O₄
Molecular Mass
264.3169
Exact Mass
264.13615912
Charge
0
InChI
InChI=1S/C15H20O4/c1-3-18-14(16)13(15(17)19-4-2)11-10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3
InChIKey
LMFLGETWXFOVMQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(=O)OCC)CCc1ccccc1
Isomeric Smiles
O(CC)C(=O)C(CCc1ccccc1)C(=O)OCC
Calculated Properties
JChem
Acid pKa
8.122715
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2391884
LogD (pH = 7.4)
3.1655555
Log P
3.2402143
Molar Refractivity
71.8947
Polarizability
28.436357
Polar Surface Area
52.6
Rotatable Bonds
9
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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