Molecule

ID:76677

General Information
Structure
MolImage
Molecular Formula
C₄H₃N₃O
Molecular Mass
109.08612
Exact Mass
109.02761173
Charge
0
InChI
InChI=1S/C4H3N3O/c5-1-3-2-7-8-4(3)6/h2H,6H2
InChIKey
HAZRYIRJNFYOLH-UHFFFAOYSA-N
Canonic Smiles
Nc1oncc1C#N
Isomeric Smiles
n1cc(c(o1)N)C#N
Calculated Properties
JChem
Acid pKa
13.981825
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5457527
LogD (pH = 7.4)
-0.5457477
Log P
-0.5457475
Molar Refractivity
27.1753
Polarizability
9.393548
Polar Surface Area
75.84
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
No Data Available
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Molecule Details
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References
Bioactivity
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