Molecule

ID:121997

General Information
Structure
Molecular Formula
C₅H₄N₄O
Molecular Mass
136.11146
Exact Mass
136.03851077
Charge
0
InChI
InChI=1S/C5H4N4O/c10-5-2-1-4-7-6-3-9(4)8-5/h1-3H,(H,8,10)
InChIKey
LDGXFPTUGULLJC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2n(n1)cnn2
Isomeric Smiles
n12c(nnc2)ccc(n1)O
Calculated Properties
JChem
Acid pKa
7.9343824
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.018208966
LogD (pH = 7.4)
-0.12617758
Log P
-0.01658683
Molar Refractivity
46.2842
Polarizability
12.213338
Polar Surface Area
63.31
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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