Molecule

ID:84030

General Information
Structure
MolImage
Molecular Formula
C₄H₄N₂O₂
Molecular Mass
112.08676
Exact Mass
112.02727738
Charge
0
InChI
InChI=1S/C4H4N2O2/c5-1-2(6)4(8)3(1)7/h5-6H2
InChIKey
WUACDRFRFTWMHE-UHFFFAOYSA-N
Canonic Smiles
NC1=C(N)C(=O)C1=O
Isomeric Smiles
O=C1C(=C(C1=O)N)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5104009
LogD (pH = 7.4)
-1.5104007
Log P
-1.5104007
Molar Refractivity
28.1102
Polarizability
9.667973
Polar Surface Area
86.18
Rotatable Bonds
0
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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