Molecule

ID:5907

General Information
Structure
MolImage
Molecular Formula
C₁₅H₃₁NO₄
Molecular Mass
289.41094
Exact Mass
289.22530848
Charge
0
InChI
InChI=1S/C15H31NO4/c1-2-3-4-5-6-7-8-9-16-10-13(18)15(20)14(19)12(16)11-17/h12-15,17-20H,2-11H2,1H3/t12-,13+,14-,15-/m1/s1
InChIKey
FTSCEGKYKXESFF-LXTVHRRPSA-N
Canonic Smiles
CCCCCCCCCN1C[C@H](O)[C@H]([C@@H]([C@H]1CO)O)O
Isomeric Smiles
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCCCC
Calculated Properties
JChem
LogD (pH = 7.4)
-0.10
LogD (pH = 5.5)
-1.85
Log P
1.04
Rotatable Bonds
9
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
8.52
Polar Surface Area
84.16
Polarizability
34.32
Molar Refractivity
78.75
LOG S
-2.83
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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