Molecule

ID:85005

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O₂
Molecular Mass
274.39784
Exact Mass
274.19328007
Charge
0
InChI
InChI=1S/C18H26O2/c1-3-5-6-7-8-9-17(19)13-10-16-11-14-18(15-12-16)20-4-2/h10-15H,3-9H2,1-2H3
InChIKey
DSXNLFWEQCWBMF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCC(=O)/C=C/c1ccc(cc1)OCC
Isomeric Smiles
O=C(/C=C/c1ccc(cc1)OCC)CCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5882277
LogD (pH = 7.4)
5.5882277
Log P
5.5882277
Molar Refractivity
85.4547
Polarizability
33.0352
Polar Surface Area
26.3
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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