Molecule

ID:58477

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₂
Molecular Mass
222.32328
Exact Mass
222.16197994
Charge
0
InChI
InChI=1S/C14H22O2/c1-2-3-16-13(15)14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12H,2-9H2,1H3
InChIKey
LVGMTYKQVATOOP-UHFFFAOYSA-N
Canonic Smiles
CCCOC(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)C(=O)OCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4050007
LogD (pH = 7.4)
3.4050007
Log P
3.4050007
Molar Refractivity
62.43
Polarizability
25.091702
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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