Molecule

ID:64055

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂O
Molecular Mass
112.12982
Exact Mass
112.06366289
Charge
0
InChI
InChI=1S/C5H8N2O/c1-3-4(2)8-7-5(3)6/h1-2H3,(H2,6,7)
InChIKey
VPANVNSDJSUFEF-UHFFFAOYSA-N
Canonic Smiles
Nc1noc(c1C)C
Isomeric Smiles
o1c(c(c(n1)N)C)C
Calculated Properties
JChem
Acid pKa
17.53628
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8158762
LogD (pH = 7.4)
0.8163001
Log P
0.8163055
Molar Refractivity
32.7048
Polarizability
11.005603
Polar Surface Area
52.05
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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