Molecule

ID:117954

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c1-7(2)4-3-6-5-8/h3-4H2,1-2H3
InChIKey
RWKVPOCZWXIRNE-UHFFFAOYSA-N
Canonic Smiles
CN(CCN=C=O)C
Isomeric Smiles
C(=NCCN(C)C)=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.6843798
LogD (pH = 7.4)
-0.22024736
Log P
-0.023975007
Molar Refractivity
31.3573
Polarizability
11.97154
Polar Surface Area
32.67
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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