Molecule

ID:111853

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₃
Molecular Mass
224.2961
Exact Mass
224.1412445
Charge
0
InChI
InChI=1S/C13H20O3/c1-4-14-13(15-5-2,16-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
InChIKey
BQFPCTXLBRVFJL-UHFFFAOYSA-N
Canonic Smiles
CCOC(c1ccccc1)(OCC)OCC
Isomeric Smiles
CCOC(OCC)(OCC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.459719
LogD (pH = 7.4)
3.459719
Log P
3.459719
Molar Refractivity
64.753
Polarizability
25.278793
Polar Surface Area
27.69
Rotatable Bonds
7
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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