Molecule

ID:111962

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₂
Molecular Mass
222.32328
Exact Mass
222.16197994
Charge
0
InChI
InChI=1S/C14H22O2/c1-5-7-14(15)16-11-10-13(4)9-6-8-12(2)3/h5,7-8,10H,6,9,11H2,1-4H3
InChIKey
MQTAGIYIVBMTBT-UHFFFAOYSA-N
Canonic Smiles
C/C=C/C(=O)OC/C=C(/CCC=C(C)C)\C
Isomeric Smiles
C/C=C/C(=O)OC/C=C(\C)/CCC=C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.31977
LogD (pH = 7.4)
4.31977
Log P
4.31977
Molar Refractivity
70.6548
Polarizability
26.571379
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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