Molecule

ID:102619

General Information
Structure
MolImage
Molecular Formula
C₂₂H₃₀O₄
Molecular Mass
358.4712
Exact Mass
358.21440944
Charge
0
InChI
InChI=1S/C22H30O4/c1-3-4-5-6-7-8-9-10-11-12-21(23)25-18-13-14-19-17(2)15-22(24)26-20(19)16-18/h13-16H,3-12H2,1-2H3
InChIKey
KDECSHRKPUAALS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
CCCCCCCCCCCC(=O)Oc1cc2c(cc1)c(C)cc(=O)o2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.391669
LogD (pH = 7.4)
6.391669
Log P
6.391669
Molar Refractivity
102.9989
Polarizability
40.37893
Polar Surface Area
52.6
Rotatable Bonds
12
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