Molecule

ID:69335

General Information
Structure
MolImage
Molecular Formula
C₃H₅N₃O
Molecular Mass
99.0913
Exact Mass
99.0432618
Charge
0
InChI
InChI=1S/C3H5N3O/c4-2-1-3(7)6-5-2/h1H,(H4,4,5,6,7)
InChIKey
QZBGOTVBHYKUDS-UHFFFAOYSA-N
Canonic Smiles
Nc1[nH][nH]c(=O)c1
Isomeric Smiles
[nH]1[nH]c(cc1=O)N
Calculated Properties
JChem
Acid pKa
9.941935
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.3080435
LogD (pH = 7.4)
-1.3091904
Log P
-1.3080288
Molar Refractivity
44.5776
Polarizability
8.856377
Polar Surface Area
67.15
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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