Molecule

ID:38100

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₂
Molecular Mass
199.28994
Exact Mass
199.15722892
Charge
0
InChI
InChI=1S/C11H21NO2/c1-4-14-11(13)8-12-6-9(2)5-10(3)7-12/h9-10H,4-8H2,1-3H3
InChIKey
ULMIOYNFXLYGEU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CN1CC(C)CC(C1)C
Isomeric Smiles
C1C(CC(CN1CC(=O)OCC)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.39079866
LogD (pH = 7.4)
1.3023518
Log P
1.7511666
Molar Refractivity
56.6756
Polarizability
22.55125
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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