Molecule

ID:38173

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-11-6-8(7(9)10)4-2-3-5-8/h2-6H2,1H3,(H2,9,10)
InChIKey
GHDASWRKRISTRN-UHFFFAOYSA-N
Canonic Smiles
COCC1(CCCC1)C(=O)N
Isomeric Smiles
C1CCCC1(C(=O)N)COC
Calculated Properties
JChem
Acid pKa
16.445581
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.55701476
LogD (pH = 7.4)
0.5570149
Log P
0.5570149
Molar Refractivity
42.094
Polarizability
16.65312
Polar Surface Area
52.32
Rotatable Bonds
3
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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