Molecule

ID:63301

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-8(2,3)11-7(10)6-4-9-5-6/h6,9H,4-5H2,1-3H3
InChIKey
DYEPMFDUWLPBKL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CNC1)OC(C)(C)C
Isomeric Smiles
C1NCC1C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.547869
LogD (pH = 7.4)
-1.0965973
Log P
0.50276345
Molar Refractivity
42.14
Polarizability
17.03371
Polar Surface Area
38.33
Rotatable Bonds
3
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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