Molecule

ID:79285

General Information
Structure
MolImage
Molecular Formula
C₅H₆N₄O
Molecular Mass
138.12734
Exact Mass
138.05416083
Charge
0
InChI
InChI=1S/C5H6N4O/c10-9-4-8-5-6-2-1-3-7-5/h1-4,10H,(H,6,7,8,9)
InChIKey
HMKDMKVIHYVPHQ-UHFFFAOYSA-N
Canonic Smiles
O/N=C/Nc1ncccn1
Isomeric Smiles
N(c1ncccn1)/C=N/O
Calculated Properties
JChem
Acid pKa
10.244188
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.07301905
LogD (pH = 7.4)
-0.073606044
Log P
-0.07298708
Molar Refractivity
36.8625
Polarizability
12.997985
Polar Surface Area
70.4
Rotatable Bonds
1
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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