Molecule

ID:64414

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-4-1-3(5(9)10)6-2-7-4/h1-2H,(H,9,10)(H,6,7,8)
InChIKey
QYGHXDAYBIFGKI-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc(c1)C(=O)O
Isomeric Smiles
c1c(C(=O)O)ncnc1O
Calculated Properties
JChem
Acid pKa
3.4883502
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.6881522
LogD (pH = 7.4)
-3.0145874
Log P
0.3840609
Molar Refractivity
31.9009
Polarizability
11.671321
Polar Surface Area
83.31
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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