Molecule

ID:85613

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆O₄
Molecular Mass
224.25304
Exact Mass
224.10485899
Charge
0
InChI
InChI=1S/C12H16O4/c1-4-16-12(13)8-9-5-6-10(14-2)11(7-9)15-3/h5-7H,4,8H2,1-3H3
InChIKey
WZKCZNJTDZCNMH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(c(c1)OC)OC
Isomeric Smiles
O=C(Cc1cc(c(cc1)OC)OC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7983536
LogD (pH = 7.4)
1.7983536
Log P
1.7983536
Molar Refractivity
59.8097
Polarizability
23.507448
Polar Surface Area
44.76
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
No Data Available
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Molecule Details
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References
Bioactivity
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