Molecule

ID:24491

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-6-4-3-5(8)7-2/h6H,3-4H2,1-2H3,(H,7,8)
InChIKey
BZAGWSIKXFPLND-UHFFFAOYSA-N
Canonic Smiles
CNCCC(=O)NC
Isomeric Smiles
C(=O)(CCNC)NC
Calculated Properties
JChem
Acid pKa
16.474138
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.2503304
LogD (pH = 7.4)
-3.2532704
Log P
-1.061149
Molar Refractivity
32.1963
Polarizability
12.678941
Polar Surface Area
41.13
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
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References
Bioactivity
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