Molecule

ID:110451

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅NO₂
Molecular Mass
145.1995
Exact Mass
145.11027873
Charge
0
InChI
InChI=1S/C7H15NO2/c1-6(5-8(3)4)10-7(2)9/h6H,5H2,1-4H3
InChIKey
UNAHOIFQEOHOMU-UHFFFAOYSA-N
Canonic Smiles
CN(CC(OC(=O)C)C)C
Isomeric Smiles
CC(CN(C)C)OC(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.631287
LogD (pH = 7.4)
-0.9117843
Log P
0.35776788
Molar Refractivity
39.8507
Polarizability
15.9186325
Polar Surface Area
29.54
Rotatable Bonds
4
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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