Molecule

ID:90210

General Information
Structure
MolImage
Molecular Formula
C₅H₃N₃O₂
Molecular Mass
137.09622
Exact Mass
137.02252635
Charge
0
InChI
InChI=1S/C5H3N3O2/c6-1-3-2-7-5(10)8-4(3)9/h2H,(H2,7,8,9,10)
InChIKey
HAUXRJCZDHHADG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c[nH]c(=O)[nH]c1=O
Isomeric Smiles
[nH]1c(=O)[nH]cc(c1=O)C#N
Calculated Properties
JChem
Acid pKa
2.2536612
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.9655664
LogD (pH = 7.4)
-2.987725
Log P
-1.0434324
Molar Refractivity
31.0229
Polarizability
11.408966
Polar Surface Area
81.99
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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