Molecule

ID:10509

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₂
Molecular Mass
124.09746
Exact Mass
124.02727738
Charge
0
InChI
InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-7-3-4/h1-3H,(H,8,9)
InChIKey
JUSIWJONLKBPDU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccnnc1
Isomeric Smiles
c1nncc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6708188
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3940125
LogD (pH = 7.4)
-3.883768
Log P
-0.5666137
Molar Refractivity
31.0206
Polarizability
10.973915
Polar Surface Area
63.08
Rotatable Bonds
1
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
References
Bioactivity
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