Molecule

ID:86045

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇NO₂
Molecular Mass
183.24748
Exact Mass
183.12592879
Charge
0
InChI
InChI=1S/C10H17NO2/c1-2-13-10(12)8-9-6-4-3-5-7-11-9/h8,11H,2-7H2,1H3
InChIKey
BRZCSNCXDNQBNN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C\1/CCCCCN1
Isomeric Smiles
N1/C(=C\C(=O)OCC)/CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.907613
LogD (pH = 7.4)
1.469504
Log P
1.4844359
Molar Refractivity
53.0324
Polarizability
20.081154
Polar Surface Area
38.33
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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