Molecule

ID:57177

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₂
Molecular Mass
185.26336
Exact Mass
185.14157885
Charge
0
InChI
InChI=1S/C10H19NO2/c1-2-13-10(12)9-11-7-5-3-4-6-8-11/h2-9H2,1H3
InChIKey
ROESXCPJJVXAQV-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCCCCC1
Isomeric Smiles
C1CN(CCCC1)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.552208
LogD (pH = 7.4)
1.0960617
Log P
1.4657896
Molar Refractivity
52.3334
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
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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