Molecule

ID:34501

General Information
Structure
Molecular Formula
C₁₁H₂₁NO₃
Molecular Mass
215.28934
Exact Mass
215.15214354
Charge
0
InChI
InChI=1S/C11H21NO3/c1-4-14-11(13)5-6-12-7-9(2)15-10(3)8-12/h9-10H,4-8H2,1-3H3
InChIKey
PQHKGZQMAHHJTD-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCN1CC(C)OC(C1)C
Isomeric Smiles
N1(CCC(=O)OCC)CC(OC(C1)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.81583375
LogD (pH = 7.4)
0.7498527
Log P
1.0225171
Molar Refractivity
58.2019
Polarizability
23.25672
Polar Surface Area
38.77
Rotatable Bonds
5
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
References
Bioactivity
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