Molecule

ID:59229

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)6-7-2/h1H3,(H2,4,6)
InChIKey
JEEUSAKCHSWJKO-UHFFFAOYSA-N
Canonic Smiles
Nc1noc(n1)C
Isomeric Smiles
o1c(nc(n1)N)C
Calculated Properties
JChem
Acid pKa
13.479857
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.37580663
LogD (pH = 7.4)
-0.375804
Log P
-0.37580362
Molar Refractivity
25.7612
Polarizability
8.464006
Polar Surface Area
64.94
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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