Molecule

ID:64504

General Information
Structure
MolImage
Molecular Formula
C₅H₄N₄O
Molecular Mass
136.11146
Exact Mass
136.03851077
Charge
0
InChI
InChI=1S/C5H4N4O/c10-5-6-2-1-4-7-3-8-9(4)5/h1-3H,(H,6,10)
InChIKey
JDPCCIANHKTFII-UHFFFAOYSA-N
Canonic Smiles
Oc1nccc2n1ncn2
Isomeric Smiles
n12c(nccc1ncn2)O
Calculated Properties
JChem
Acid pKa
9.203038
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.3468424
LogD (pH = 7.4)
0.34042907
Log P
0.34713766
Molar Refractivity
44.4019
Polarizability
12.210796
Polar Surface Area
63.31
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
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Molecule Details
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References
Bioactivity
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