Molecule
ID:53115
General Information
Molecular Formula
C₅H₅N₅
Molecular Mass
135.1267
Exact Mass
135.05449519
Charge
0
InChI
InChI=1S/C5H5N5/c1-2-4(6-3-1)5-7-9-10-8-5/h1-3,6H,(H,7,8,9,10)
InChIKey
GFRUZMPMDDEEMB-UHFFFAOYSA-N
Canonic Smiles
c1ccc([nH]1)c1nnn[nH]1
Isomeric Smiles
c1(ccc[nH]1)c1nnn[nH]1
Calculated Properties
JChem
Acid pKa
4.0087805
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0063859
LogD (pH = 7.4)
-1.3510721
Log P
0.25369114
Molar Refractivity
48.0565
Polarizability
13.38645
Polar Surface Area
70.25
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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