Molecule

ID:40664

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁NO₃
Molecular Mass
227.30004
Exact Mass
227.15214354
Charge
0
InChI
InChI=1S/C12H21NO3/c1-4-16-11(15)10-5-7-13(8-6-10)12(2,3)9-14/h9-10H,4-8H2,1-3H3
InChIKey
ZJBDXMMSHFKMOY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(C=O)(C)C
Isomeric Smiles
N1(C(C=O)(C)C)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.3624181
LogD (pH = 7.4)
0.9582985
Log P
1.0868793
Molar Refractivity
62.2541
Polarizability
24.47862
Polar Surface Area
46.61
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
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References
Bioactivity
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