Molecule

ID:58427

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₂
Molecular Mass
208.2967
Exact Mass
208.14632988
Charge
0
InChI
InChI=1S/C13H20O2/c1-2-15-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3
InChIKey
SYEXGNJRYPOUSI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C12CC3CC(C2)CC(C1)C3
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)C(=O)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8824782
LogD (pH = 7.4)
2.8824782
Log P
2.8824782
Molar Refractivity
57.906
Polarizability
23.250896
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
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation