Molecule

ID:63294

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃O
Molecular Mass
123.1127
Exact Mass
123.0432618
Charge
0
InChI
InChI=1S/C5H5N3O/c6-5-4(3-9)7-1-2-8-5/h1-3H,(H2,6,8)
InChIKey
OWUMNLRPYPXBIO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nccnc1N
Isomeric Smiles
c1(c(N)nccn1)C=O
Calculated Properties
JChem
Acid pKa
17.569508
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3404498
LogD (pH = 7.4)
0.34047765
Log P
0.340478
Molar Refractivity
32.9569
Polarizability
11.627674
Polar Surface Area
68.87
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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