Molecule

ID:37034

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₅O₂
Molecular Mass
167.1255
Exact Mass
167.04432443
Charge
0
InChI
InChI=1S/C5H5N5O2/c1-2-7-5(10-11-2)3-4(6)9-12-8-3/h1H3,(H2,6,9)
InChIKey
SIIFIFWSMLVWHU-UHFFFAOYSA-N
Canonic Smiles
Cc1onc(n1)c1nonc1N
Isomeric Smiles
o1c(nc(n1)c1c(non1)N)C
Calculated Properties
JChem
Acid pKa
13.466393
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.33620024
LogD (pH = 7.4)
0.33619988
Log P
0.33620024
Molar Refractivity
51.5384
Polarizability
13.9826565
Polar Surface Area
103.86
Rotatable Bonds
1
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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