Molecule

ID:112694

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₈O₂
Molecular Mass
264.40302
Exact Mass
264.20893014
Charge
0
InChI
InChI=1S/C17H28O2/c1-7-17(6,19-16(5)18)13-9-12-15(4)11-8-10-14(2)3/h7,10,12H,1,8-9,11,13H2,2-6H3
InChIKey
PRNJXUQTUSFYLV-UHFFFAOYSA-N
Canonic Smiles
C=CC(OC(=O)C)(CC/C=C(/CCC=C(C)C)\C)C
Isomeric Smiles
CC(=O)OC(C)(CC/C=C(\C)/CCC=C(C)C)C=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.748332
LogD (pH = 7.4)
4.748332
Log P
4.748332
Molar Refractivity
83.1607
Polarizability
32.108677
Polar Surface Area
26.3
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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