Molecule

ID:74182

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(15)16-4/h5-8,10-11H,9H2,1-4H3
InChIKey
YNZYUHPFNYBBFF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc(cc1)CC(C)C)C
Isomeric Smiles
O(C)C(=O)C(c1ccc(cc1)CC(C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9894524
LogD (pH = 7.4)
3.9894524
Log P
3.9894524
Molar Refractivity
65.501
Polarizability
25.750643
Polar Surface Area
26.3
Rotatable Bonds
5
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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