Molecule

ID:63102

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-8-7-9(12)5-6-13(8)10(14)15-11(2,3)4/h8-9H,5-7,12H2,1-4H3
InChIKey
OGIPSHDJYIEDKG-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(C(C1)C)C(=O)OC(C)(C)C
Isomeric Smiles
C1CN(C(C)CC1N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2994738
LogD (pH = 7.4)
-1.7247803
Log P
0.7180674
Molar Refractivity
59.4891
Polarizability
23.692034
Polar Surface Area
55.56
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
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Molecule Details
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References
Bioactivity
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