Molecule

ID:24403

General Information
Structure
Molecular Formula
C₈H₁₇NO₃
Molecular Mass
175.22548
Exact Mass
175.12084341
Charge
0
InChI
InChI=1S/C8H17NO3/c1-3-12-8(10)4-5-9-6-7-11-2/h9H,3-7H2,1-2H3
InChIKey
YRZBCDDHSOESLU-UHFFFAOYSA-N
Canonic Smiles
COCCNCCC(=O)OCC
Isomeric Smiles
C(=O)(CCNCCOC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.0798047
LogD (pH = 7.4)
-1.640569
Log P
-0.022155924
Molar Refractivity
46.0386
Polarizability
18.471376
Polar Surface Area
47.56
Rotatable Bonds
8
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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