Molecule

ID:60217

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-3-11-7-5-9(6-8-11)10(12)13-4-2/h9H,3-8H2,1-2H3
InChIKey
IYFCAAUQJJZDHW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)CC
Isomeric Smiles
C(=O)(C1CCN(CC1)CC)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.7976553
LogD (pH = 7.4)
-0.056970425
Log P
1.1227901
Molar Refractivity
52.6363
Polarizability
20.710838
Polar Surface Area
29.54
Rotatable Bonds
4
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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