Molecule

ID:101802

General Information
Structure
Molecular Formula
C₁₆H₃₅NO₆
Molecular Mass
337.4522
Exact Mass
337.24643785
Charge
0
InChI
InChI=1S/C16H35NO6/c1-3-22-16(23-4-2)6-5-8-18-10-12-20-14-15-21-13-11-19-9-7-17/h16H,3-15,17H2,1-2H3
InChIKey
AYHQILIYRINGPZ-UHFFFAOYSA-N
Canonic Smiles
NCCOCCOCCOCCOCCCC(OCC)OCC
Isomeric Smiles
C(OCC)(OCC)CCCOCCOCCOCCOCCN
Calculated Properties
JChem
H Acceptors
7
H Donor
1
LogD (pH = 5.5)
-2.502301
LogD (pH = 7.4)
-1.5266128
Log P
0.480803
Molar Refractivity
90.035
Polarizability
35.919895
Polar Surface Area
81.4
Rotatable Bonds
19
Lipinski's Rule of Five
true
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
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References
Bioactivity
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