Molecule

ID:43033

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈O₄
Molecular Mass
262.30102
Exact Mass
262.12050906
Charge
0
InChI
InChI=1S/C15H18O4/c1-4-18-14(16)13(15(17)19-5-2)10-12-8-6-11(3)7-9-12/h6-10H,4-5H2,1-3H3
InChIKey
UEKBMHTZKUMANN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(=Cc1ccc(cc1)C)C(=O)OCC
Isomeric Smiles
C(=Cc1ccc(cc1)C)(C(=O)OCC)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7088215
LogD (pH = 7.4)
3.7088215
Log P
3.7088215
Molar Refractivity
73.2108
Polarizability
28.185743
Polar Surface Area
52.6
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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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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