Molecule

ID:75104

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁NO₅
Molecular Mass
283.32024
Exact Mass
283.14197278
Charge
0
InChI
InChI=1S/C14H21NO5/c15-12-1-2-13-14(11-12)20-10-8-18-6-4-16-3-5-17-7-9-19-13/h1-2,11H,3-10,15H2
InChIKey
CQNGAZMLFIMLQN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)OCCOCCOCCOCCO2
Isomeric Smiles
O1CCOc2c(ccc(c2)N)OCCOCCOCC1
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
0.46750504
LogD (pH = 7.4)
0.5158726
Log P
0.51652586
Molar Refractivity
74.8463
Polarizability
28.95063
Polar Surface Area
72.17
Rotatable Bonds
0
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
References
Bioactivity
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