Molecule

ID:110404

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c1-3-14-11(13)10-12(2,15-10)9-7-5-4-6-8-9/h4-8,10H,3H2,1-2H3
InChIKey
LQKRYVGRPXFFAV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1OC1(C)c1ccccc1
Isomeric Smiles
CCOC(=O)C1OC1(C)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2104828
LogD (pH = 7.4)
2.2104828
Log P
2.2104828
Molar Refractivity
55.3121
Polarizability
22.101767
Polar Surface Area
38.83
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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