Molecule

ID:77692

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)13-7-5-6-9(8-13)12-4/h9,12H,5-8H2,1-4H3
InChIKey
XRRRUOWSHGFPTI-UHFFFAOYSA-N
Canonic Smiles
CNC1CCCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)CCCC(C1)NC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0082524
LogD (pH = 7.4)
-1.0921016
Log P
1.1914757
Molar Refractivity
59.6241
Polarizability
23.692034
Polar Surface Area
41.57
Rotatable Bonds
3
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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