Molecule

ID:57502

General Information
Structure
MolImage
Molecular Formula
C₄H₅N₃O₃
Molecular Mass
143.1008
Exact Mass
143.03309104
Charge
0
InChI
InChI=1S/C4H5N3O3/c5-3(9)4-6-2(1-8)10-7-4/h8H,1H2,(H2,5,9)
InChIKey
QKFBZCPFXZFMIP-UHFFFAOYSA-N
Canonic Smiles
OCc1onc(n1)C(=O)N
Isomeric Smiles
o1c(nc(n1)C(=O)N)CO
Calculated Properties
JChem
Acid pKa
12.074265
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3247515
LogD (pH = 7.4)
-1.324758
Log P
-1.3247515
Molar Refractivity
31.5563
Polarizability
11.077216
Polar Surface Area
102.24
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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