Molecule

ID:89679

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₆O₃
Molecular Mass
290.39724
Exact Mass
290.18819469
Charge
0
InChI
InChI=1S/C18H26O3/c1-3-4-5-6-7-8-15-21-18(19)14-11-16-9-12-17(20-2)13-10-16/h9-14H,3-8,15H2,1-2H3
InChIKey
PCQLCJLFQGMYHD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCOC(=O)/C=C/c1ccc(cc1)OC
Isomeric Smiles
O=C(OCCCCCCCC)/C=C/c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.459816
LogD (pH = 7.4)
5.459816
Log P
5.459816
Molar Refractivity
86.5698
Polarizability
33.703293
Polar Surface Area
35.53
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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