Molecule
ID:67443
General Information
Molecular Formula
C₅H₃N₃O
Molecular Mass
121.09682
Exact Mass
121.02761173
Charge
0
InChI
InChI=1S/C5H3N3O/c6-1-4-2-7-3-8-5(4)9/h2-3H,(H,7,8,9)
InChIKey
SVOQOFSQLVVHKQ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cncnc1O
Isomeric Smiles
c1nc(c(cn1)C#N)O
Calculated Properties
JChem
Acid pKa
10.635698
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.19672072
LogD (pH = 7.4)
0.19647552
Log P
0.19672385
Molar Refractivity
30.7383
Polarizability
11.044726
Polar Surface Area
69.8
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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