Molecule
ID:35431
General Information
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c1-5(2)8-6(9)4-7-3/h5,7H,4H2,1-3H3,(H,8,9)
InChIKey
QYNMIIFWHFZEOX-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)NC(C)C
Isomeric Smiles
C(=O)(NC(C)C)CNC
Calculated Properties
JChem
Acid pKa
16.077948
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4957666
LogD (pH = 7.4)
-1.9391077
Log P
-0.5247787
Molar Refractivity
36.6643
Polarizability
14.517068
Polar Surface Area
41.13
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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