Molecule

ID:34404

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₂O₃
Molecular Mass
140.09686
Exact Mass
140.022192
Charge
0
InChI
InChI=1S/C5H4N2O3/c8-4-2-6-3(1-7-4)5(9)10/h1-2H,(H,7,8)(H,9,10)
InChIKey
CGQFCIHUUCMACC-UHFFFAOYSA-N
Canonic Smiles
Oc1cnc(cn1)C(=O)O
Isomeric Smiles
c1(ncc(nc1)O)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6102266
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.0141613
LogD (pH = 7.4)
-3.4676545
Log P
-0.1277736
Molar Refractivity
30.9228
Polarizability
11.671267
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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