Molecule

ID:132518

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆O₃
Molecular Mass
266.37584
Exact Mass
266.18819469
Charge
0
InChI
InChI=1S/C16H26O3/c1-12(9-10-14-16(3,4)19-14)7-6-8-13(2)11-15(17)18-5/h7,11,14H,6,8-10H2,1-5H3/b12-7+,13-11+
InChIKey
QVJMXSGZTCGLHZ-ZPLWXOMKSA-N
Canonic Smiles
COC(=O)/C=C(/CC/C=C(/CCC1OC1(C)C)\C)\C
Isomeric Smiles
C/C(=C\CC/C(=C/C(=O)OC)/C)/CCC1C(O1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.8828642
LogD (pH = 7.4)
3.8828642
Log P
3.8828642
Molar Refractivity
78.4587
Polarizability
30.442617
Polar Surface Area
38.83
Rotatable Bonds
8
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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