Molecule

ID:58478

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₂O₂
Molecular Mass
222.32328
Exact Mass
222.16197994
Charge
0
InChI
InChI=1S/C14H22O2/c1-9(2)16-13(15)14-6-10-3-11(7-14)5-12(4-10)8-14/h9-12H,3-8H2,1-2H3
InChIKey
PHSXMXGYVSYRPF-UHFFFAOYSA-N
Canonic Smiles
CC(OC(=O)C12CC3CC(C2)CC(C1)C3)C
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)C(=O)OC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2990534
LogD (pH = 7.4)
3.2990534
Log P
3.2990534
Molar Refractivity
62.3248
Polarizability
25.091702
Polar Surface Area
26.3
Rotatable Bonds
3
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
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References
Bioactivity
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