Molecule

ID:56051

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O
Molecular Mass
99.0913
Exact Mass
99.0432618
Charge
0
InChI
InChI=1S/C3H5N3O/c1-2-3(4)6-7-5-2/h1H3,(H2,4,6)
InChIKey
QIEJLLIYONRHBH-UHFFFAOYSA-N
Canonic Smiles
Nc1nonc1C
Isomeric Smiles
n1c(c(no1)C)N
Calculated Properties
JChem
Acid pKa
14.435393
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5410073
LogD (pH = 7.4)
-0.5410072
Log P
-0.54100716
Molar Refractivity
26.034
Polarizability
8.465128
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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