Molecule

ID:116527

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-6(2)9-4-7(5-10)3-8(9)11/h6-7,10H,3-5H2,1-2H3
InChIKey
HJRSONVKDMDDFC-UHFFFAOYSA-N
Canonic Smiles
OCC1CN(C(=O)C1)C(C)C
Isomeric Smiles
N1(C(=O)CC(C1)CO)C(C)C
Calculated Properties
JChem
Acid pKa
15.411802
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6126994
LogD (pH = 7.4)
-0.61269933
Log P
-0.61269933
Molar Refractivity
42.6235
Polarizability
16.582787
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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