Molecule

ID:127057

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₄
Molecular Mass
222.23716
Exact Mass
222.08920893
Charge
0
InChI
InChI=1S/C12H14O4/c1-4-5-8-6-9-11(16-7-15-9)12(14-3)10(8)13-2/h4,6H,1,5,7H2,2-3H3
InChIKey
LIKYNOPXHGPMIH-UHFFFAOYSA-N
Canonic Smiles
C=CCc1cc2OCOc2c(c1OC)OC
Isomeric Smiles
O1c2cc(c(OC)c(OC)c2OC1)CC=C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3797076
LogD (pH = 7.4)
2.3797076
Log P
2.3797076
Molar Refractivity
59.0386
Polarizability
23.124588
Polar Surface Area
36.92
Rotatable Bonds
4
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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