Molecule

ID:10184

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₂
Molecular Mass
124.09746
Exact Mass
124.02727738
Charge
0
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-1-6-3-7-2-4/h1-3H,(H,8,9)
InChIKey
IIVUJUOJERNGQX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cncnc1
Isomeric Smiles
c1(cncnc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.7971146
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.9978672
LogD (pH = 7.4)
-3.5564814
Log P
-0.29268163
Molar Refractivity
29.9785
Polarizability
10.97021
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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