Molecule

ID:86190

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂N₂O₂
Molecular Mass
226.31528
Exact Mass
226.16812795
Charge
0
InChI
InChI=1S/C12H22N2O2/c1-10-7-13(8-11(2)16-10)9-14-6-4-3-5-12(14)15/h10-11H,3-9H2,1-2H3
InChIKey
LADXOBIJTKLILR-UHFFFAOYSA-N
Canonic Smiles
CC1CN(CC(O1)C)CN1CCCCC1=O
Isomeric Smiles
N1(CN2CC(C)OC(C2)C)C(=O)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.14977324
LogD (pH = 7.4)
0.8116536
Log P
0.8320305
Molar Refractivity
62.4963
Polarizability
24.80672
Polar Surface Area
32.78
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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