Molecule

ID:86075

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O₂
Molecular Mass
141.12798
Exact Mass
141.05382648
Charge
0
InChI
InChI=1S/C5H7N3O2/c1-3-4(7-10)5(9)8(2)6-3/h10H,1-2H3
InChIKey
OAUNJIILDXESFQ-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\C(=NN(C1=O)C)C
Isomeric Smiles
N1=C(/C(=N\O)/C(=O)N1C)C
Calculated Properties
JChem
Acid pKa
7.72023
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.23221065
LogD (pH = 7.4)
0.06589463
Log P
0.23480733
Molar Refractivity
34.3334
Polarizability
12.686616
Polar Surface Area
65.26
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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