Molecule

ID:18706

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂N₂O
Molecular Mass
116.16158
Exact Mass
116.09496301
Charge
0
InChI
InChI=1S/C5H12N2O/c1-4(2)7-5(8)3-6/h4H,3,6H2,1-2H3,(H,7,8)
InChIKey
LKCKUYRPMPUHTD-UHFFFAOYSA-N
Canonic Smiles
NCC(=O)NC(C)C
Isomeric Smiles
C(=O)(NC(C)C)CN
Calculated Properties
JChem
Acid pKa
16.026606
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.4501884
LogD (pH = 7.4)
-1.7669865
Log P
-0.95735914
Molar Refractivity
31.8897
Polarizability
12.678941
Polar Surface Area
55.12
Rotatable Bonds
2
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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