Molecule

ID:50127

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀O₂
Molecular Mass
220.3074
Exact Mass
220.14632988
Charge
0
InChI
InChI=1S/C14H20O2/c1-5-8-16-13-7-6-12(14(2,3)4)9-11(13)10-15/h6-7,9-10H,5,8H2,1-4H3
InChIKey
HIIBFAOXSVVQPO-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1C=O)C(C)(C)C
Isomeric Smiles
c1(cc(C(C)(C)C)ccc1OCCC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9524636
LogD (pH = 7.4)
3.9524636
Log P
3.9524636
Molar Refractivity
67.0437
Polarizability
25.716545
Polar Surface Area
26.3
Rotatable Bonds
5
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