Molecule

ID:106942

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-4-9(5-2)7-8(10)11-6-3/h4-7H2,1-3H3
InChIKey
ORRQJZMYQQDYDX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN(CC)CC
Isomeric Smiles
CCOC(=O)CN(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.75328976
LogD (pH = 7.4)
0.69659054
Log P
0.8844707
Molar Refractivity
45.0876
Polarizability
17.757055
Polar Surface Area
29.54
Rotatable Bonds
6
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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