Molecule

ID:58486

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀O₂
Molecular Mass
208.2967
Exact Mass
208.14632988
Charge
0
InChI
InChI=1S/C13H20O2/c1-9-2-11-3-10(1)5-13(4-9,6-11)15-8-12-7-14-12/h9-12H,1-8H2
InChIKey
SOIAGOLKGAHWEU-UHFFFAOYSA-N
Canonic Smiles
C1C2CC3CC1CC(C2)(C3)OCC1CO1
Isomeric Smiles
C1C2CC3(CC1CC(C3)C2)OCC1OC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0572224
LogD (pH = 7.4)
2.0572224
Log P
2.0572224
Molar Refractivity
57.374
Polarizability
23.142635
Polar Surface Area
21.76
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