Molecule

ID:108790

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂O₄
Molecular Mass
196.19988
Exact Mass
196.07355886
Charge
0
InChI
InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2
InChIKey
ZPOLOEWJWXZUSP-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(=O)/C=C/C(=O)OCC=C
Isomeric Smiles
C=CCOC(=O)/C=C/C(=O)OCC=C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1800401
LogD (pH = 7.4)
2.1800401
Log P
2.1800401
Molar Refractivity
52.4706
Polarizability
19.979818
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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