Molecule

ID:111908

General Information
Structure
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c1-7(5-9)3-4-8(2)6-10/h5-6H,3-4H2,1-2H3
InChIKey
VRNZHZHNUUGILQ-UHFFFAOYSA-N
Canonic Smiles
O=CN(CCN(C=O)C)C
Isomeric Smiles
CN(CCN(C)C=O)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.4347956
LogD (pH = 7.4)
-1.4347948
Log P
-1.4347948
Molar Refractivity
37.5686
Polarizability
14.254132
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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