Molecule

ID:78145

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-3-7-4(2-10-3)5(9)8-6/h2H,6H2,1H3,(H,8,9)
InChIKey
GBQAWWYOPRFGMG-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(co1)C(=O)NN
Isomeric Smiles
O=C(c1coc(n1)C)NN
Calculated Properties
JChem
Acid pKa
11.962692
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0222466
LogD (pH = 7.4)
-1.0217996
Log P
-1.0217831
Molar Refractivity
34.3986
Polarizability
12.478613
Polar Surface Area
81.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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