Molecule

ID:58287

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O
Molecular Mass
99.0913
Exact Mass
99.0432618
Charge
0
InChI
InChI=1S/C3H5N3O/c1-2-5-3(4)7-6-2/h1H3,(H2,4,5,6)
InChIKey
LGNNZKURGCOEJY-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)N
Isomeric Smiles
n1c(onc1C)N
Calculated Properties
JChem
Acid pKa
11.8697195
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21273246
LogD (pH = 7.4)
0.21272747
Log P
0.21274167
Molar Refractivity
25.4722
Polarizability
8.4644985
Polar Surface Area
64.94
Rotatable Bonds
0
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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