Molecule

ID:75110

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₁NO₄
Molecular Mass
219.27804
Exact Mass
219.14705816
Charge
0
InChI
InChI=1S/C10H21NO4/c1-3-12-5-7-14-9-10-15-8-6-13-4-2-11-1/h11H,1-10H2
InChIKey
BJUOQSZSDIHZNP-UHFFFAOYSA-N
Canonic Smiles
N1CCOCCOCCOCCOCC1
Isomeric Smiles
O1CCNCCOCCOCCOCC1
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.6299076
LogD (pH = 7.4)
-2.2282913
Log P
-0.55230546
Molar Refractivity
56.8984
Polarizability
22.757488
Polar Surface Area
48.95
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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