Molecule

ID:38098

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-3-10-7-5-6-8-12(10)9-11(13)14-4-2/h10H,3-9H2,1-2H3
InChIKey
MBBPTLVGQAXZQX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CCCCC1CC
Isomeric Smiles
C1(CCCCN1CC(=O)OCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.16928805
LogD (pH = 7.4)
1.5198331
Log P
1.9603183
Molar Refractivity
56.6752
Polarizability
22.55125
Polar Surface Area
29.54
Rotatable Bonds
5
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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