Molecule

ID:104693

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-6(2)5(8)7(3)4/h1-4H3
InChIKey
AVQQQNCBBIEMEU-UHFFFAOYSA-N
Canonic Smiles
CN(C(=O)N(C)C)C
Isomeric Smiles
CN(C)C(=O)N(C)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.47
LogD (pH = 5.5)
-0.47
Log P
-0.47
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.65
Polar Surface Area
23.55
Polarizability
12.92
Molar Refractivity
32.73
LOG S
0.36
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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