Molecule

ID:52222

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-5(2,3)4(8)7-6/h6H2,1-3H3,(H,7,8)
InChIKey
OARJXUPBZNUYBG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(C)(C)C
Isomeric Smiles
C(=O)(C(C)(C)C)NN
Calculated Properties
JChem
Acid pKa
13.3768
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.47028694
LogD (pH = 7.4)
0.47274056
Log P
0.47277242
Molar Refractivity
32.6524
Polarizability
12.581209
Polar Surface Area
55.12
Rotatable Bonds
1
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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