Molecule

ID:111532

General Information
Structure
MolImage
Molecular Formula
C₂H₃N₃O₂
Molecular Mass
101.06412
Exact Mass
101.02252635
Charge
0
InChI
InChI=1S/C2H3N3O2/c6-1-3-2(7)5-4-1/h(H3,3,4,5,6,7)
InChIKey
UDATXMIGEVPXTR-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH][nH]c(=O)[nH]1
Isomeric Smiles
O=c1[nH][nH]c(=O)[nH]1
Calculated Properties
JChem
Acid pKa
4.791573
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
-1.8546451
LogD (pH = 7.4)
-2.202876
Log P
-1.2679322
Molar Refractivity
19.7852
Polarizability
7.524008
Polar Surface Area
70.23
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
References
Bioactivity
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