Molecule

ID:10683

General Information
Structure
MolImage
Molecular Formula
C₂₂H₂₆O₂
Molecular Mass
322.44064
Exact Mass
322.19328007
Charge
0
InChI
InChI=1S/C22H26O2/c23-21(19-13-7-5-8-14-19)17-11-3-1-2-4-12-18-22(24)20-15-9-6-10-16-20/h5-10,13-16H,1-4,11-12,17-18H2
InChIKey
QQBFTUFGJSWZTP-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccccc1)CCCCCCCCC(=O)c1ccccc1
Isomeric Smiles
c1(C(=O)CCCCCCCCC(=O)c2ccccc2)ccccc1
Calculated Properties
JChem
Acid pKa
16.849455
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.777407
LogD (pH = 7.4)
5.777407
Log P
5.777407
Molar Refractivity
98.7772
Polarizability
38.48352
Polar Surface Area
34.14
Rotatable Bonds
11
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