Molecule

ID:123946

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-9-3-5-10(6-4-9)7-8(11)12-2/h3-7H2,1-2H3
InChIKey
LGFZMXDFNYFURS-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CN1CCN(CC1)C
Isomeric Smiles
N1(CC(=O)OC)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.6034384
LogD (pH = 7.4)
-0.8756011
Log P
-0.3388336
Molar Refractivity
46.8919
Polarizability
18.562765
Polar Surface Area
32.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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