Molecule

ID:67048

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O
Molecular Mass
136.11146
Exact Mass
136.03851077
Charge
0
InChI
InChI=1S/C5H4N4O/c6-4-3-5(10-9-4)8-2-1-7-3/h1-2H,(H2,6,9)
InChIKey
WKOSBXIJGCIJII-UHFFFAOYSA-N
Canonic Smiles
Nc1noc2c1nccn2
Isomeric Smiles
c12c(nccn1)onc2N
Calculated Properties
JChem
Acid pKa
14.235841
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5598342
LogD (pH = 7.4)
-0.5598319
Log P
-0.5598318
Molar Refractivity
34.1084
Polarizability
12.5890465
Polar Surface Area
77.83
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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