Molecule

ID:109319

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈O₂
Molecular Mass
266.33432
Exact Mass
266.13067982
Charge
0
InChI
InChI=1S/C18H18O2/c19-18(14-13-17-10-5-2-6-11-17)20-15-7-12-16-8-3-1-4-9-16/h1-6,8-11,13-14H,7,12,15H2
InChIKey
LYRAHIUDQRJGGZ-UHFFFAOYSA-N
Canonic Smiles
O=C(/C=C/c1ccccc1)OCCCc1ccccc1
Isomeric Smiles
O=C(OCCCc1ccccc1)/C=C/c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.9730167
LogD (pH = 7.4)
4.9730167
Log P
4.9730167
Molar Refractivity
81.7976
Polarizability
31.6066
Polar Surface Area
26.3
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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