Molecule

ID:29863

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂O₂
Molecular Mass
214.30458
Exact Mass
214.16812795
Charge
0
InChI
InChI=1S/C11H22N2O2/c1-11(2,3)15-10(14)13-7-4-5-9(12)6-8-13/h9H,4-8,12H2,1-3H3
InChIKey
YCOKHOLOSGJEGL-UHFFFAOYSA-N
Canonic Smiles
NC1CCCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CCN(CCC1N)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2001925
LogD (pH = 7.4)
-1.6568462
Log P
0.81885505
Molar Refractivity
59.7149
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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