Molecule
ID:60110
General Information
Molecular Formula
C₆H₁₂N₂O₂
Molecular Mass
144.17168
Exact Mass
144.08987763
Charge
0
InChI
InChI=1S/C6H12N2O2/c7-8-6(9)5-1-3-10-4-2-5/h5H,1-4,7H2,(H,8,9)
InChIKey
UBBSHXCLOFHQHW-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCOCC1
Isomeric Smiles
C1COCCC1C(=O)NN
Calculated Properties
JChem
Acid pKa
12.871542
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.908272
LogD (pH = 7.4)
-0.90579134
Log P
-0.9057582
Molar Refractivity
37.7007
Polarizability
14.42564
Polar Surface Area
64.35
Rotatable Bonds
1
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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