Molecule

ID:108261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄O₄
Molecular Mass
246.25856
Exact Mass
246.08920893
Charge
0
InChI
InChI=1S/C14H14O4/c1-3-8-17-13(15)11-6-5-7-12(10-11)14(16)18-9-4-2/h3-7,10H,1-2,8-9H2
InChIKey
OOORLLSLMPBSPT-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)c1cccc(c1)C(=O)OCC=C
Isomeric Smiles
C=CCOC(=O)c1cc(ccc1)C(=O)OCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4426994
LogD (pH = 7.4)
3.4426994
Log P
3.4426994
Molar Refractivity
68.434
Polarizability
26.053043
Polar Surface Area
52.6
Rotatable Bonds
8
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
References
Bioactivity
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