Molecule

ID:40074

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₅
Molecular Mass
278.30042
Exact Mass
278.11542368
Charge
0
InChI
InChI=1S/C15H18O5/c1-4-19-14(16)13(15(17)20-5-2)10-11-6-8-12(18-3)9-7-11/h6-10H,4-5H2,1-3H3
InChIKey
KUBLMWHFTKNBHL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=Cc1ccc(cc1)OC)C(=O)OCC
Isomeric Smiles
C(=Cc1ccc(cc1)OC)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0377288
LogD (pH = 7.4)
3.0377288
Log P
3.0377288
Molar Refractivity
74.6328
Polarizability
28.955866
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
No Data Available
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Molecule Details
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References
Bioactivity
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