Molecule
ID:53058
General Information
Molecular Formula
C₄H₃N₃
Molecular Mass
93.08672
Exact Mass
93.03269711
Charge
0
InChI
InChI=1S/C4H3N3/c5-3-4-1-2-6-7-4/h1-2H,(H,6,7)
InChIKey
YMJLEPMVGQBLHL-UHFFFAOYSA-N
Canonic Smiles
c1c[nH]nc1C#N
Isomeric Smiles
n1c(cc[nH]1)C#N
Calculated Properties
JChem
Acid pKa
13.673412
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.5193745
LogD (pH = 7.4)
0.51937604
Log P
0.51937634
Molar Refractivity
25.095
Polarizability
8.995509
Polar Surface Area
52.47
Rotatable Bonds
0
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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