Molecule

ID:67228

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-8-6-13(7-9(2)12-8)10(14)15-11(3,4)5/h8-9,12H,6-7H2,1-5H3
InChIKey
NUZXPHIQZUYMOR-UHFFFAOYSA-N
Canonic Smiles
CC1NC(C)CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CC(NC(C1)C)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0322847
LogD (pH = 7.4)
0.699908
Log P
1.3875363
Molar Refractivity
59.2815
Polarizability
23.692034
Polar Surface Area
41.57
Rotatable Bonds
2
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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