Molecule

ID:112151

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂O₃
Molecular Mass
226.31198
Exact Mass
226.15689456
Charge
0
InChI
InChI=1S/C13H22O3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-9,13H,10-12H2,1-3H3
InChIKey
GCQIJZJDZVTVCJ-UHFFFAOYSA-N
Canonic Smiles
C/C=C/COC(OC/C=C/C)OC/C=C/C
Isomeric Smiles
C/C=C/COC(OC/C=C/C)OC/C=C/C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.097096
LogD (pH = 7.4)
4.097096
Log P
4.097096
Molar Refractivity
69.847
Polarizability
26.025394
Polar Surface Area
27.69
Rotatable Bonds
9
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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