Molecule

ID:18161

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈O₃
Molecular Mass
210.26952
Exact Mass
210.12559444
Charge
0
InChI
InChI=1S/C12H18O3/c1-3-13-12(14-4-2)10-15-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
InChIKey
IISGAJPGMKEIAZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(COc1ccccc1)OCC
Isomeric Smiles
C(COc1ccccc1)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7611175
LogD (pH = 7.4)
2.7611175
Log P
2.7611175
Molar Refractivity
58.843
Polarizability
23.43625
Polar Surface Area
27.69
Rotatable Bonds
7
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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