Molecule

ID:136757

General Information
Structure
MolImage
Molecular Formula
C₂₃H₄₄NO₄
Molecular Mass
398.59976
Exact Mass
398.32703389
Charge
0
InChI
InChI=1S/C23H44NO4/c1-5-6-7-15-18-23(24(26)22(2,3)20-28-23)19-16-13-11-9-8-10-12-14-17-21(25)27-4/h5-20H2,1-4H3
InChIKey
JJBQJGSYLSZDNS-UHFFFAOYSA-N
Canonic Smiles
CCCCCCC1(CCCCCCCCCCC(=O)OC)OCC(N1[O])(C)C
Isomeric Smiles
CCCCCCC1(N(C(CO1)(C)C)[O])CCCCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
6.455398
LogD (pH = 7.4)
6.455398
Log P
6.455398
Molar Refractivity
113.3265
Polarizability
45.53711
Polar Surface Area
38.77
Rotatable Bonds
17
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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