Molecule

ID:66868

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₂
Molecular Mass
226.31528
Exact Mass
226.16812795
Charge
0
InChI
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3
InChIKey
LGEWGFOMLJQHLL-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCC2C1CNC2)OC(C)(C)C
Isomeric Smiles
C12C(CCCN1C(=O)OC(C)(C)C)CNC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.110665
LogD (pH = 7.4)
-1.7618623
Log P
1.1244724
Molar Refractivity
62.2653
Polarizability
24.80672
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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