Molecule

ID:2852

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O
Molecular Mass
136.11146
Exact Mass
136.03851077
Charge
0
InChI
InChI=1S/C5H4N4O/c10-5-4-3(1-8-9-4)6-2-7-5/h2H,1H2,(H,6,7,10)
InChIKey
OGCXIHWGXUQTCQ-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc2c1N=NC2
Isomeric Smiles
Oc1ncnc2c1N=NC2
Calculated Properties
JChem
LogD (pH = 7.4)
0.39
LogD (pH = 5.5)
0.49
Log P
0.49
Rotatable Bonds
0
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
8.00
Polar Surface Area
70.73
Polarizability
11.73
Molar Refractivity
35.58
LOG S
-0.96
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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