Molecule

ID:92182

General Information
Structure
MolImage
Molecular Formula
C₅H₇N₃O
Molecular Mass
125.12858
Exact Mass
125.05891186
Charge
0
InChI
InChI=1S/C5H7N3O/c1-8-2-4(3-9)5(6)7-8/h2-3H,1H3,(H2,6,7)
InChIKey
UGWUYEXHMDPAMR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1N)C
Isomeric Smiles
n1c(c(cn1C)C=O)N
Calculated Properties
JChem
Acid pKa
19.273243
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.5277083
LogD (pH = 7.4)
0.52912176
Log P
0.5291398
Molar Refractivity
46.5593
Polarizability
11.978419
Polar Surface Area
60.91
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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