Molecule

ID:111907

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-7(11)9(3)5-6-10(4)8(2)12/h5-6H2,1-4H3
InChIKey
TYJXKGNJOSVQCP-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)C)CCN(C(=O)C)C
Isomeric Smiles
CN(CCN(C)C(=O)C)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.3373978
LogD (pH = 7.4)
-1.3373973
Log P
-1.3373973
Molar Refractivity
46.5496
Polarizability
17.910904
Polar Surface Area
40.62
Rotatable Bonds
3
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
References
Bioactivity
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