Molecule

ID:132915

General Information
Structure
MolImage
Molecular Formula
C₂₈H₅₀N₂O₂
Molecular Mass
446.7088
Exact Mass
446.38722885
Charge
0
InChI
InChI=1S/C28H50N2O2/c1-3-7-15-25-17-21-30-20-10-14-24(28(30)31-25)12-6-2-4-8-16-26-18-22-29-19-9-13-23(11-5-1)27(29)32-26/h23-28H,1-22H2/t23-,24+,25-,26-,27+,28+/m1/s1
InChIKey
PQYOPBRFUUEHRC-HCKQMYSWSA-N
Canonic Smiles
C1CCC[C@@H]2CCCN3[C@H]2O[C@H](CCCCCC[C@@H]2[C@@H]4O[C@H](CC1)CCN4CCC2)CC3
Isomeric Smiles
C1CCC[C@@H]2CCN3CCC[C@@H]([C@@H]3O2)CCCCCC[C@@H]2CCN3CCC[C@H]([C@@H]3O2)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
5.83
LogD (pH = 5.5)
2.56
Log P
6.54
Rotatable Bonds
0
H Donor
0
H Acceptors
4
Lipinski's Rule of Five
false
Acid pKa
7.80
Polar Surface Area
24.94
Polarizability
55.56
Molar Refractivity
132.56
LOG S
-5.30
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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