Molecule

ID:74119

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O
Molecular Mass
136.11146
Exact Mass
136.03851077
Charge
0
InChI
InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
InChIKey
FDGQSTZJBFJUBT-UHFFFAOYSA-N
Canonic Smiles
O=c1nc[nH]c2c1[nH]cn2
Isomeric Smiles
n1c[nH]c2c(c1=O)[nH]cn2
Calculated Properties
JChem
Acid pKa
8.198065
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.36313608
LogD (pH = 7.4)
-0.4226997
Log P
-0.36165878
Molar Refractivity
35.6118
Polarizability
12.116838
Polar Surface Area
70.14
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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