Molecule

ID:111875

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₂O₃
Molecular Mass
296.44488
Exact Mass
296.23514488
Charge
0
InChI
InChI=1S/C18H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17(19)21-18(16)20/h16H,2-15H2,1H3
InChIKey
BZECBEKZECEQRI-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCC1CC(=O)OC1=O
Isomeric Smiles
CCCCCCCCCCCCCCC1CC(=O)OC1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.058068
LogD (pH = 7.4)
6.058068
Log P
6.058068
Molar Refractivity
84.7191
Polarizability
33.98851
Polar Surface Area
43.37
Rotatable Bonds
13
Lipinski's Rule of Five
false
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