Molecule

ID:35471

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆N₂O₂
Molecular Mass
160.21414
Exact Mass
160.12117776
Charge
0
InChI
InChI=1S/C7H16N2O2/c1-8-6-7(10)9-4-3-5-11-2/h8H,3-6H2,1-2H3,(H,9,10)
InChIKey
ZALYRJSCQYOHRT-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)NCCCOC
Isomeric Smiles
C(=O)(NCCCOC)CNC
Calculated Properties
JChem
Acid pKa
15.8988905
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.2563634
LogD (pH = 7.4)
-2.6999106
Log P
-1.2851775
Molar Refractivity
43.4058
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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