Molecule

ID:104988

General Information
Structure
MolImage
Molecular Formula
C₂₂H₄₂O₄
Molecular Mass
370.56648
Exact Mass
370.30830982
Charge
0
InChI
InChI=1S/C22H42O4/c1-5-9-13-19(7-3)17-25-21(23)15-11-12-16-22(24)26-18-20(8-4)14-10-6-2/h19-20H,5-18H2,1-4H3
InChIKey
SAOKZLXYCUGLFA-UHFFFAOYSA-N
Canonic Smiles
CCCCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CC
Isomeric Smiles
CCCCC(CC)COC(=O)CCCCC(=O)OCC(CC)CCCC
Calculated Properties
JChem
LogD (pH = 7.4)
6.83
LogD (pH = 5.5)
6.83
Log P
6.83
Rotatable Bonds
19
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
false
Acid pKa
-6.73
Polar Surface Area
52.60
Polarizability
46.07
Molar Refractivity
106.57
LOG S
-6.65
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
References
Bioactivity
Navigation