Molecule

ID:103094

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₁NO₃
Molecular Mass
333.46504
Exact Mass
333.23039386
Charge
0
InChI
InChI=1S/C20H31NO3/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3
InChIKey
CFJMRBQWBDQYMK-UHFFFAOYSA-N
Canonic Smiles
CCN(CCOCCOC(=O)C1(CCCC1)c1ccccc1)CC
Isomeric Smiles
CCN(CC)CCOCCOC(=O)C1(CCCC1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.606898
LogD (pH = 7.4)
1.961526
Log P
3.9665852
Molar Refractivity
97.1698
Polarizability
38.364464
Polar Surface Area
38.77
Rotatable Bonds
11
Lipinski's Rule of Five
true
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