Molecule

ID:58245

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-7(2)5-11-6(10)8(3,4)9-7/h9H,5H2,1-4H3
InChIKey
BCBKUYDNRBNODE-UHFFFAOYSA-N
Canonic Smiles
O=C1OCC(NC1(C)C)(C)C
Isomeric Smiles
N1C(C(=O)OCC1(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5933727
LogD (pH = 7.4)
0.951013
Log P
0.95815575
Molar Refractivity
41.8423
Polarizability
17.03371
Polar Surface Area
38.33
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
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Molecule Details
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References
Bioactivity
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