Molecule

ID:33388

General Information
Structure
MolImage
Molecular Formula
C₈H₁₇NO₂
Molecular Mass
159.22608
Exact Mass
159.12592879
Charge
0
InChI
InChI=1S/C8H17NO2/c1-5-11-8(10)6-9(4)7(2)3/h7H,5-6H2,1-4H3
InChIKey
AFJPXRUUGZHLTI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN(C(C)C)C
Isomeric Smiles
N(CC(=O)OCC)(C(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.70139164
LogD (pH = 7.4)
0.7534739
Log P
0.94423777
Molar Refractivity
44.7578
Polarizability
17.757055
Polar Surface Area
29.54
Rotatable Bonds
5
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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