Molecule

ID:89610

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄O₃
Molecular Mass
206.23776
Exact Mass
206.09429431
Charge
0
InChI
InChI=1S/C12H14O3/c13-9-10-3-1-2-4-12(10)15-11-5-7-14-8-6-11/h1-4,9,11H,5-8H2
InChIKey
UCRWIPOHJNTVKS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccccc1OC1CCOCC1
Isomeric Smiles
O=Cc1c(cccc1)OC1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4892629
LogD (pH = 7.4)
1.4892629
Log P
1.4892629
Molar Refractivity
57.5807
Polarizability
22.073519
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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