Molecule

ID:24482

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂
Molecular Mass
160.21414
Exact Mass
160.12117776
Charge
0
InChI
InChI=1S/C7H16N2O2/c1-8-7(10)3-4-9-5-6-11-2/h9H,3-6H2,1-2H3,(H,8,10)
InChIKey
MXAJCGISAUBJSD-UHFFFAOYSA-N
Canonic Smiles
COCCNCCC(=O)NC
Isomeric Smiles
C(=O)(CCNCCOC)NC
Calculated Properties
JChem
Acid pKa
16.253193
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.1793766
LogD (pH = 7.4)
-2.765202
Log P
-1.1081245
Molar Refractivity
43.2398
Polarizability
17.066732
Polar Surface Area
50.36
Rotatable Bonds
6
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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