Molecule

ID:22372

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₂
Molecular Mass
124.09746
Exact Mass
124.02727738
Charge
0
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-6-2-1-3-7-4/h1-3H,(H,8,9)
InChIKey
ZFCHNZDUMIOWFV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ncccn1
Isomeric Smiles
c1(ncccn1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.8397262
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.791635
LogD (pH = 7.4)
-3.2665887
Log P
0.31321087
Molar Refractivity
29.6394
Polarizability
10.980129
Polar Surface Area
63.08
Rotatable Bonds
1
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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