Molecule

ID:83297

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O
Molecular Mass
112.12982
Exact Mass
112.06366289
Charge
0
InChI
InChI=1S/C5H8N2O/c1-4-3-5(8)7(2)6-4/h3H2,1-2H3
InChIKey
NDELSWXIAJLWOU-UHFFFAOYSA-N
Canonic Smiles
CC1=NN(C(=O)C1)C
Isomeric Smiles
N1(N=C(C)CC1=O)C
Calculated Properties
JChem
Acid pKa
12.849515
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.13130459
LogD (pH = 7.4)
-0.13125995
Log P
-0.13125782
Molar Refractivity
29.7149
Polarizability
11.176714
Polar Surface Area
32.67
Rotatable Bonds
0
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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